
Phenylpropanoids and polyketides





















4-Phenylcinnamic acid, 98%
CAS: 13026-23-8 Formule moléculaire: C15H12O2 Poids moléculaire (g/mol): 224.26 Numéro MDL: MFCD00014010 Clé InChI: DMJDEZUEYXVYNO-FLIBITNWSA-N Synonyme: 4-phenylcinnamic acid,3-1,1'-biphenyl-4-yl acrylic acid,p-phenylcinnamic acid,e-3-1,1'-biphenyl-4-yl acrylic acid,2e-3-4-phenylphenyl prop-2-enoic acid,2e-3-biphenyl-4-ylacrylic acid,3-4-phenylphenyl prop-2-enoic acid,2e-3-1,1'-biphenyl-4-yl prop-2-enoic acid,trans-4-phenylcinnamic acid,biphenylylacrylicacid CID PubChem: 5842785 Nom IUPAC: (E)-3-(4-phenylphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C/C1=CC=C(C=C1)C1=CC=CC=C1
Poids moléculaire (g/mol) | 224.26 |
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Synonyme | 4-phenylcinnamic acid,3-1,1'-biphenyl-4-yl acrylic acid,p-phenylcinnamic acid,e-3-1,1'-biphenyl-4-yl acrylic acid,2e-3-4-phenylphenyl prop-2-enoic acid,2e-3-biphenyl-4-ylacrylic acid,3-4-phenylphenyl prop-2-enoic acid,2e-3-1,1'-biphenyl-4-yl prop-2-enoic acid,trans-4-phenylcinnamic acid,biphenylylacrylicacid |
Numéro MDL | MFCD00014010 |
CAS | 13026-23-8 |
CID PubChem | 5842785 |
Nom IUPAC | (E)-3-(4-phenylphenyl)prop-2-enoic acid |
Clé InChI | DMJDEZUEYXVYNO-FLIBITNWSA-N |
SMILES | OC(=O)\C=C/C1=CC=C(C=C1)C1=CC=CC=C1 |
Formule moléculaire | C15H12O2 |
2-Hydroxychalcone, 98+%
CAS: 644-78-0 Formule moléculaire: C15H12O2 Poids moléculaire (g/mol): 224.259 Numéro MDL: MFCD00016449 Clé InChI: UDOOPSJCRMKSGL-ZHACJKMWSA-N Synonyme: 2-hydroxychalcone,2e-3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,2-propen-1-one, 3-2-hydroxyphenyl-1-phenyl,2-2-hydroxybenzal acetophenone,e-3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,3-2-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-2-hydroxyphenyl-1-phenyl-prop-2-en-1-one,2-hydroxybenzylidene acetophenone,chalcone, 1 CID PubChem: 5367146 Nom IUPAC: (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2O
Poids moléculaire (g/mol) | 224.259 |
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Synonyme | 2-hydroxychalcone,2e-3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,2-propen-1-one, 3-2-hydroxyphenyl-1-phenyl,2-2-hydroxybenzal acetophenone,e-3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,3-2-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-2-hydroxyphenyl-1-phenyl-prop-2-en-1-one,2-hydroxybenzylidene acetophenone,chalcone, 1 |
Numéro MDL | MFCD00016449 |
CAS | 644-78-0 |
CID PubChem | 5367146 |
Nom IUPAC | (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one |
Clé InChI | UDOOPSJCRMKSGL-ZHACJKMWSA-N |
SMILES | C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2O |
Formule moléculaire | C15H12O2 |
4-Acetoxycinnamic acid, predominantly trans, 98+%
CAS: 15486-19-8 Formule moléculaire: C11H10O4 Poids moléculaire (g/mol): 206.197 Numéro MDL: MFCD00016847 Clé InChI: BYHBHNKBISXCEP-QPJJXVBHSA-N Synonyme: 4-acetoxycinnamic acid,p-acetoxycinnamic acid,3-4-acetoxyphenyl acrylic acid,2-propenoic acid, 3-4-acetyloxy phenyl,trans-4-acetoxycinnamic acid,3-4-acetyloxy phenyl prop-2-enoic acid,4-acetoxycinnamic acid, predominantly trans,acetylated coumaric acid,2e-3-4-acetyloxy phenyl prop-2-enoic acid,3-4-acetoxyphenyl-2-propenoic acid CID PubChem: 5373941 ChEBI: CHEBI:86580 Nom IUPAC: (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid SMILES: CC(=O)OC1=CC=C(C=C1)C=CC(=O)O
Poids moléculaire (g/mol) | 206.197 |
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Synonyme | 4-acetoxycinnamic acid,p-acetoxycinnamic acid,3-4-acetoxyphenyl acrylic acid,2-propenoic acid, 3-4-acetyloxy phenyl,trans-4-acetoxycinnamic acid,3-4-acetyloxy phenyl prop-2-enoic acid,4-acetoxycinnamic acid, predominantly trans,acetylated coumaric acid,2e-3-4-acetyloxy phenyl prop-2-enoic acid,3-4-acetoxyphenyl-2-propenoic acid |
Numéro MDL | MFCD00016847 |
CAS | 15486-19-8 |
CID PubChem | 5373941 |
ChEBI | CHEBI:86580 |
Nom IUPAC | (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid |
Clé InChI | BYHBHNKBISXCEP-QPJJXVBHSA-N |
SMILES | CC(=O)OC1=CC=C(C=C1)C=CC(=O)O |
Formule moléculaire | C11H10O4 |
Cinnamyl alcohol, 98%
CAS: 104-54-1 Formule moléculaire: C9H10O Poids moléculaire (g/mol): 134.178 Numéro MDL: MFCD00002921 Clé InChI: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonyme: cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol CID PubChem: 5315892 ChEBI: CHEBI:33227 Nom IUPAC: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO
Poids moléculaire (g/mol) | 134.178 |
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Synonyme | cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol |
Numéro MDL | MFCD00002921 |
CAS | 104-54-1 |
CID PubChem | 5315892 |
ChEBI | CHEBI:33227 |
Nom IUPAC | (E)-3-phenylprop-2-en-1-ol |
Clé InChI | OOCCDEMITAIZTP-QPJJXVBHSA-N |
SMILES | C1=CC=C(C=C1)C=CCO |
Formule moléculaire | C9H10O |
4-Methylcinnamic acid, predominantly trans, 99%
CAS: 1866-39-3 Formule moléculaire: C10H10O2 Poids moléculaire (g/mol): 162.188 Numéro MDL: MFCD00002697 Clé InChI: RURHILYUWQEGOS-VOTSOKGWSA-N Synonyme: 4-methylcinnamic acid,3-p-tolyl acrylic acid,e-3-p-tolyl acrylic acid,p-methylcinnamic acid,p-methyl cinnamic acid,2e-3-4-methylphenyl acrylic acid,2e-3-4-methylphenyl prop-2-enoic acid,4-methyl-cinnamic acid,e-3-4-methylphenyl-2-propenoic acid,3-4-methylphenyl-2-propenoic acid CID PubChem: 731767 Nom IUPAC: (E)-3-(4-methylphenyl)prop-2-enoic acid SMILES: CC1=CC=C(C=C1)C=CC(=O)O
Poids moléculaire (g/mol) | 162.188 |
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Synonyme | 4-methylcinnamic acid,3-p-tolyl acrylic acid,e-3-p-tolyl acrylic acid,p-methylcinnamic acid,p-methyl cinnamic acid,2e-3-4-methylphenyl acrylic acid,2e-3-4-methylphenyl prop-2-enoic acid,4-methyl-cinnamic acid,e-3-4-methylphenyl-2-propenoic acid,3-4-methylphenyl-2-propenoic acid |
Numéro MDL | MFCD00002697 |
CAS | 1866-39-3 |
CID PubChem | 731767 |
Nom IUPAC | (E)-3-(4-methylphenyl)prop-2-enoic acid |
Clé InChI | RURHILYUWQEGOS-VOTSOKGWSA-N |
SMILES | CC1=CC=C(C=C1)C=CC(=O)O |
Formule moléculaire | C10H10O2 |
(+)-Rutin trihydrate, 95%
CAS: 250249-75-3 Formule moléculaire: C27H36O19 Poids moléculaire (g/mol): 664.566 Numéro MDL: MFCD00149490 Clé InChI: NLLBWFFSGHKUSY-JPRRWYCFSA-N Synonyme: rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard CID PubChem: 16218542 Nom IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O
Poids moléculaire (g/mol) | 664.566 |
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Synonyme | rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard |
Numéro MDL | MFCD00149490 |
CAS | 250249-75-3 |
CID PubChem | 16218542 |
Nom IUPAC | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate |
Clé InChI | NLLBWFFSGHKUSY-JPRRWYCFSA-N |
SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O |
Formule moléculaire | C27H36O19 |
3-(4-Methoxyphenyl)propionic acid, 98%
CAS: 1929-29-9 Formule moléculaire: C10H12O3 Poids moléculaire (g/mol): 180.203 Numéro MDL: MFCD00002777 Clé InChI: FIUFLISGGHNPSM-UHFFFAOYSA-N Synonyme: 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy CID PubChem: 95750 Nom IUPAC: 3-(4-methoxyphenyl)propanoic acid SMILES: COC1=CC=C(C=C1)CCC(=O)O
Poids moléculaire (g/mol) | 180.203 |
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Synonyme | 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy |
Numéro MDL | MFCD00002777 |
CAS | 1929-29-9 |
CID PubChem | 95750 |
Nom IUPAC | 3-(4-methoxyphenyl)propanoic acid |
Clé InChI | FIUFLISGGHNPSM-UHFFFAOYSA-N |
SMILES | COC1=CC=C(C=C1)CCC(=O)O |
Formule moléculaire | C10H12O3 |
4-Methoxycoumarin, 98%
CAS: 20280-81-3 Formule moléculaire: C10H8O3 Poids moléculaire (g/mol): 176.171 Numéro MDL: MFCD00017349 Clé InChI: MLCMXDYMSAZNPC-UHFFFAOYSA-N CID PubChem: 529426 Nom IUPAC: 4-methoxychromen-2-one SMILES: COC1=CC(=O)OC2=CC=CC=C21
Poids moléculaire (g/mol) | 176.171 |
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Numéro MDL | MFCD00017349 |
CAS | 20280-81-3 |
CID PubChem | 529426 |
Nom IUPAC | 4-methoxychromen-2-one |
Clé InChI | MLCMXDYMSAZNPC-UHFFFAOYSA-N |
SMILES | COC1=CC(=O)OC2=CC=CC=C21 |
Formule moléculaire | C10H8O3 |
alpha-Bromocinnamaldehyde, 98%
CAS: 5443-49-2 Formule moléculaire: C9H7BrO Poids moléculaire (g/mol): 211.058 Numéro MDL: MFCD00006965 Clé InChI: WQRWNOKNRHCLHV-TWGQIWQCSA-N Synonyme: alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo CID PubChem: 5369403 Nom IUPAC: (Z)-2-bromo-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=C(C=O)Br
Poids moléculaire (g/mol) | 211.058 |
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Synonyme | alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo |
Numéro MDL | MFCD00006965 |
CAS | 5443-49-2 |
CID PubChem | 5369403 |
Nom IUPAC | (Z)-2-bromo-3-phenylprop-2-enal |
Clé InChI | WQRWNOKNRHCLHV-TWGQIWQCSA-N |
SMILES | C1=CC=C(C=C1)C=C(C=O)Br |
Formule moléculaire | C9H7BrO |
3,4-Dichlorocinnamic acid, 97%
CAS: 1202-39-7 Formule moléculaire: C9H6Cl2O2 Poids moléculaire (g/mol): 217.045 Numéro MDL: MFCD00004385 Clé InChI: RRLUFPHCTSFKNR-DUXPYHPUSA-N Synonyme: 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid CID PubChem: 688027 Nom IUPAC: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl
Poids moléculaire (g/mol) | 217.045 |
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Synonyme | 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid |
Numéro MDL | MFCD00004385 |
CAS | 1202-39-7 |
CID PubChem | 688027 |
Nom IUPAC | (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid |
Clé InChI | RRLUFPHCTSFKNR-DUXPYHPUSA-N |
SMILES | C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl |
Formule moléculaire | C9H6Cl2O2 |
2',3-Dihydroxyflavone, 97%, Thermo Scientific Chemicals
CAS: 6068-76-4 Formule moléculaire: C15H10O4 Poids moléculaire (g/mol): 254.24 Numéro MDL: MFCD00017674 Clé InChI: VECGDSZOFMYGAF-UHFFFAOYSA-N Synonyme: 3,2'-dihydroxyflavone,2',3-dihydroxyflavone,3-hydroxy-2-2-hydroxyphenyl-4h-chromen-4-one,2'-hydroxyflavonol,3-hydroxy-2-2-hydroxyphenyl chromen-4-one,4h-1-benzopyran-4-one, 3-hydroxy-2-2-hydroxyphenyl,2'3-dioh-flavone,3,2'-dihydroxy flavone,acmc-1b19t,7,8-dihydroxyflavone-derivative-1 CID PubChem: 455313 Nom IUPAC: 3-hydroxy-2-(2-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=CC=C1C1=C(O)C(=O)C2=CC=CC=C2O1
Poids moléculaire (g/mol) | 254.24 |
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Synonyme | 3,2'-dihydroxyflavone,2',3-dihydroxyflavone,3-hydroxy-2-2-hydroxyphenyl-4h-chromen-4-one,2'-hydroxyflavonol,3-hydroxy-2-2-hydroxyphenyl chromen-4-one,4h-1-benzopyran-4-one, 3-hydroxy-2-2-hydroxyphenyl,2'3-dioh-flavone,3,2'-dihydroxy flavone,acmc-1b19t,7,8-dihydroxyflavone-derivative-1 |
Numéro MDL | MFCD00017674 |
CAS | 6068-76-4 |
CID PubChem | 455313 |
Nom IUPAC | 3-hydroxy-2-(2-hydroxyphenyl)chromen-4-one |
Clé InChI | VECGDSZOFMYGAF-UHFFFAOYSA-N |
SMILES | OC1=CC=CC=C1C1=C(O)C(=O)C2=CC=CC=C2O1 |
Formule moléculaire | C15H10O4 |
7,8-Dihydroxyflavone hydrate, 97%
CAS: 38183-03-8 Formule moléculaire: C15H10O4 Poids moléculaire (g/mol): 254.24 Numéro MDL: MFCD00006836 Clé InChI: COCYGNDCWFKTMF-UHFFFAOYSA-N Synonyme: 7,8-dihydroxyflavone,7,8-dihydroxy-2-phenyl-4h-chromen-4-one,7,8-dihydroxy-flavone,4h-1-benzopyran-4-one, 7,8-dihydroxy-2-phenyl,7,8-dhf,7,8-dihydroxy-2-phenyl-4-benzopyrone,7,8-dihydroxy-2-phenyl-chromen-4-one,7,8-dihydroxyflavone hydrate,chembl75267,7,8-dihydroxy-2-phenyl-4h-1-benzopyran-4-one CID PubChem: 1880 Nom IUPAC: 7,8-dihydroxy-2-phenylchromen-4-one SMILES: OC1=CC=C2C(=O)C=C(OC2=C1O)C1=CC=CC=C1
Poids moléculaire (g/mol) | 254.24 |
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Synonyme | 7,8-dihydroxyflavone,7,8-dihydroxy-2-phenyl-4h-chromen-4-one,7,8-dihydroxy-flavone,4h-1-benzopyran-4-one, 7,8-dihydroxy-2-phenyl,7,8-dhf,7,8-dihydroxy-2-phenyl-4-benzopyrone,7,8-dihydroxy-2-phenyl-chromen-4-one,7,8-dihydroxyflavone hydrate,chembl75267,7,8-dihydroxy-2-phenyl-4h-1-benzopyran-4-one |
Numéro MDL | MFCD00006836 |
CAS | 38183-03-8 |
CID PubChem | 1880 |
Nom IUPAC | 7,8-dihydroxy-2-phenylchromen-4-one |
Clé InChI | COCYGNDCWFKTMF-UHFFFAOYSA-N |
SMILES | OC1=CC=C2C(=O)C=C(OC2=C1O)C1=CC=CC=C1 |
Formule moléculaire | C15H10O4 |
3-(4-Chloro-3-methylphenyl)propionic acid, 96%
CAS: 1086386-05-1 Formule moléculaire: C10H11ClO2 Poids moléculaire (g/mol): 198.646 Numéro MDL: MFCD11655590 Clé InChI: PCLIPGMIRVJYFB-UHFFFAOYSA-N Synonyme: 3-4-chloro-3-methylphenyl propanoic acid,3-4-chloro-3-methyl-phenyl-propionic acid,3-4-chloro-3-methylphenyl propionic acid,benzenepropanoic acid, 4-chloro-3-methyl CID PubChem: 46741400 Nom IUPAC: 3-(4-chloro-3-methylphenyl)propanoic acid SMILES: CC1=C(C=CC(=C1)CCC(=O)O)Cl
Poids moléculaire (g/mol) | 198.646 |
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Synonyme | 3-4-chloro-3-methylphenyl propanoic acid,3-4-chloro-3-methyl-phenyl-propionic acid,3-4-chloro-3-methylphenyl propionic acid,benzenepropanoic acid, 4-chloro-3-methyl |
Numéro MDL | MFCD11655590 |
CAS | 1086386-05-1 |
CID PubChem | 46741400 |
Nom IUPAC | 3-(4-chloro-3-methylphenyl)propanoic acid |
Clé InChI | PCLIPGMIRVJYFB-UHFFFAOYSA-N |
SMILES | CC1=C(C=CC(=C1)CCC(=O)O)Cl |
Formule moléculaire | C10H11ClO2 |
3-(2,6-Dichlorophenyl)propionic acid, 96%
CAS: 51656-68-9 Formule moléculaire: C9H8Cl2O2 Poids moléculaire (g/mol): 219.061 Numéro MDL: MFCD01310807 Clé InChI: IDEOVPXKPDUXTP-UHFFFAOYSA-N CID PubChem: 2758192 Nom IUPAC: 3-(2,6-dichlorophenyl)propanoic acid SMILES: C1=CC(=C(C(=C1)Cl)CCC(=O)O)Cl
Poids moléculaire (g/mol) | 219.061 |
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Numéro MDL | MFCD01310807 |
CAS | 51656-68-9 |
CID PubChem | 2758192 |
Nom IUPAC | 3-(2,6-dichlorophenyl)propanoic acid |
Clé InChI | IDEOVPXKPDUXTP-UHFFFAOYSA-N |
SMILES | C1=CC(=C(C(=C1)Cl)CCC(=O)O)Cl |
Formule moléculaire | C9H8Cl2O2 |
3-(2,5-Dimethoxyphenyl)propionic acid, 96%
CAS: 10538-49-5 Formule moléculaire: C11H14O4 Poids moléculaire (g/mol): 210.23 Numéro MDL: MFCD00060325 Clé InChI: JENQUCZZZGYHRW-UHFFFAOYSA-N CID PubChem: 66343 Nom IUPAC: 3-(2,5-dimethoxyphenyl)propanoic acid SMILES: COC1=CC=C(OC)C(CCC(O)=O)=C1
Poids moléculaire (g/mol) | 210.23 |
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Numéro MDL | MFCD00060325 |
CAS | 10538-49-5 |
CID PubChem | 66343 |
Nom IUPAC | 3-(2,5-dimethoxyphenyl)propanoic acid |
Clé InChI | JENQUCZZZGYHRW-UHFFFAOYSA-N |
SMILES | COC1=CC=C(OC)C(CCC(O)=O)=C1 |
Formule moléculaire | C11H14O4 |