Organic acids and derivatives
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3-Isoamyl-6-methyl-2-heptyl Myristate 95.0+%, TCI America™
CAS: 88332-30-3 Molecular Formula: C27H54O2 Molecular Weight (g/mol): 410.727 InChI Key: JHAGSLRTFDBCLA-UHFFFAOYSA-N Synonym: 3-Isoamyl-6-methyl-2-heptyl Tetradecanoate, 2-Isopentyl-1,5-dimethylhexyl Tetradecanoate, Myristic Acid 3-Isoamyl-6-methyl-2-heptyl Ester, Tetradecanoic Acid 3-Isoamyl-6-methyl-2-heptyl Ester PubChem CID: 44629799 IUPAC Name: [6-methyl-3-(3-methylbutyl)heptan-2-yl] tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC(C)C(CCC(C)C)CCC(C)C
| PubChem CID | 44629799 |
|---|---|
| CAS | 88332-30-3 |
| Molecular Weight (g/mol) | 410.727 |
| SMILES | CCCCCCCCCCCCCC(=O)OC(C)C(CCC(C)C)CCC(C)C |
| Synonym | 3-Isoamyl-6-methyl-2-heptyl Tetradecanoate, 2-Isopentyl-1,5-dimethylhexyl Tetradecanoate, Myristic Acid 3-Isoamyl-6-methyl-2-heptyl Ester, Tetradecanoic Acid 3-Isoamyl-6-methyl-2-heptyl Ester |
| IUPAC Name | [6-methyl-3-(3-methylbutyl)heptan-2-yl] tetradecanoate |
| InChI Key | JHAGSLRTFDBCLA-UHFFFAOYSA-N |
| Molecular Formula | C27H54O2 |
Isoamyl Isobutyrate 98.0+%, TCI America™
CAS: 2050-01-3 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00053719 InChI Key: VFTGLSWXJMRZNB-UHFFFAOYSA-N Synonym: isoamyl isobutyrate,isopentyl isobutyrate,isobutyric acid isoamyl ester,propanoic acid, 2-methyl-, 3-methylbutyl ester,isobutyric acid, isopentyl ester,3-methylbutyl isobutyrate,isoamyl 2-methylpropanoate,isopentyl 2-methylpropanoate,isoamyl isobutanoate,isopentyl isobutanoate PubChem CID: 519786 ChEBI: CHEBI:87537 IUPAC Name: 3-methylbutyl 2-methylpropanoate SMILES: CC(C)CCOC(=O)C(C)C
| PubChem CID | 519786 |
|---|---|
| CAS | 2050-01-3 |
| Molecular Weight (g/mol) | 158.24 |
| ChEBI | CHEBI:87537 |
| MDL Number | MFCD00053719 |
| SMILES | CC(C)CCOC(=O)C(C)C |
| Synonym | isoamyl isobutyrate,isopentyl isobutyrate,isobutyric acid isoamyl ester,propanoic acid, 2-methyl-, 3-methylbutyl ester,isobutyric acid, isopentyl ester,3-methylbutyl isobutyrate,isoamyl 2-methylpropanoate,isopentyl 2-methylpropanoate,isoamyl isobutanoate,isopentyl isobutanoate |
| IUPAC Name | 3-methylbutyl 2-methylpropanoate |
| InChI Key | VFTGLSWXJMRZNB-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
N-Isopropylphthalimide 98.0+%, TCI America™
CAS: 304-17-6 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00014582 InChI Key: VPLDXHDOGVIETL-UHFFFAOYSA-N PubChem CID: 67535 IUPAC Name: 2-(propan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione SMILES: CC(C)N1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 67535 |
|---|---|
| CAS | 304-17-6 |
| Molecular Weight (g/mol) | 189.21 |
| MDL Number | MFCD00014582 |
| SMILES | CC(C)N1C(=O)C2=CC=CC=C2C1=O |
| IUPAC Name | 2-(propan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione |
| InChI Key | VPLDXHDOGVIETL-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |
Iron(II) Acetate 90.0+%, TCI America™
CAS: 3094-87-9 Molecular Formula: C4H6FeO4 Molecular Weight (g/mol): 173.93 MDL Number: MFCD00058909 InChI Key: LNOZJRCUHSPCDZ-UHFFFAOYSA-L Synonym: iron ii acetate,ferrous acetate,iron diacetate,iron di acetate,iron 2+ acetate,acetic acid, iron 2+ salt,acetic acid, iron 2+ salt 2:1,unii-l80i7m6d3q,ferrousacetate PubChem CID: 18344 IUPAC Name: λ²-iron(2+) diacetate SMILES: [Fe++].CC([O-])=O.CC([O-])=O
| PubChem CID | 18344 |
|---|---|
| CAS | 3094-87-9 |
| Molecular Weight (g/mol) | 173.93 |
| MDL Number | MFCD00058909 |
| SMILES | [Fe++].CC([O-])=O.CC([O-])=O |
| Synonym | iron ii acetate,ferrous acetate,iron diacetate,iron di acetate,iron 2+ acetate,acetic acid, iron 2+ salt,acetic acid, iron 2+ salt 2:1,unii-l80i7m6d3q,ferrousacetate |
| IUPAC Name | λ²-iron(2+) diacetate |
| InChI Key | LNOZJRCUHSPCDZ-UHFFFAOYSA-L |
| Molecular Formula | C4H6FeO4 |
Isopropylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 80041-89-0 Molecular Formula: C3H9BO2 MDL Number: MFCD01319021 InChI Key: QIPHSSYCQCBJAX-UHFFFAOYSA-N PubChem CID: 2734750
| PubChem CID | 2734750 |
|---|---|
| CAS | 80041-89-0 |
| MDL Number | MFCD01319021 |
| InChI Key | QIPHSSYCQCBJAX-UHFFFAOYSA-N |
| Molecular Formula | C3H9BO2 |
4-Isopropoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 153624-46-5 Molecular Formula: C9H13BO3 Molecular Weight (g/mol): 180.01 MDL Number: MFCD03427051 InChI Key: CJUHQADBFQRIMC-UHFFFAOYSA-N Synonym: 4-isopropoxyphenylboronic acid,4-isopropoxylphenylboronic acid,4-isopropoxyphenyl boronic acid,4-isopropoxybenzeneboronic acid,4-isopropyloxyphenylboronic acid,4-propan-2-yloxyphenyl boronic acid,boronic acid, 4-1-methylethoxy phenyl,4-propan-2-yloxy phenyl boronic acid,4-iso-propoxyphenylboronic acid,p-isopropoxyphenylboronic acid PubChem CID: 3698726 IUPAC Name: (4-propan-2-yloxyphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)OC(C)C)(O)O
| PubChem CID | 3698726 |
|---|---|
| CAS | 153624-46-5 |
| Molecular Weight (g/mol) | 180.01 |
| MDL Number | MFCD03427051 |
| SMILES | B(C1=CC=C(C=C1)OC(C)C)(O)O |
| Synonym | 4-isopropoxyphenylboronic acid,4-isopropoxylphenylboronic acid,4-isopropoxyphenyl boronic acid,4-isopropoxybenzeneboronic acid,4-isopropyloxyphenylboronic acid,4-propan-2-yloxyphenyl boronic acid,boronic acid, 4-1-methylethoxy phenyl,4-propan-2-yloxy phenyl boronic acid,4-iso-propoxyphenylboronic acid,p-isopropoxyphenylboronic acid |
| IUPAC Name | (4-propan-2-yloxyphenyl)boronic acid |
| InChI Key | CJUHQADBFQRIMC-UHFFFAOYSA-N |
| Molecular Formula | C9H13BO3 |
4'-Iodoacetanilide 95.0+%, TCI America™
CAS: 622-50-4 Molecular Formula: C8H8INO Molecular Weight (g/mol): 261.062 MDL Number: MFCD00016352 InChI Key: SIULLDWIXYYVCU-UHFFFAOYSA-N Synonym: n-4-iodophenyl acetamide,4-iodoacetanilide,4'-iodoacetanilide,p-iodoacetanilide,acetamide, n-4-iodophenyl,acetanilide, 4'-iodo,4'-iodo-acetanilide,pubchem3293,acmc-20akb8,maybridge1_006480 PubChem CID: 12147 IUPAC Name: N-(4-iodophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)I
| PubChem CID | 12147 |
|---|---|
| CAS | 622-50-4 |
| Molecular Weight (g/mol) | 261.062 |
| MDL Number | MFCD00016352 |
| SMILES | CC(=O)NC1=CC=C(C=C1)I |
| Synonym | n-4-iodophenyl acetamide,4-iodoacetanilide,4'-iodoacetanilide,p-iodoacetanilide,acetamide, n-4-iodophenyl,acetanilide, 4'-iodo,4'-iodo-acetanilide,pubchem3293,acmc-20akb8,maybridge1_006480 |
| IUPAC Name | N-(4-iodophenyl)acetamide |
| InChI Key | SIULLDWIXYYVCU-UHFFFAOYSA-N |
| Molecular Formula | C8H8INO |
4-Isobutylcyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 38792-88-0 Molecular Formula: C11H20O2 Molecular Weight (g/mol): 184.279 InChI Key: NFJJRCCYQXONBL-UHFFFAOYSA-N PubChem CID: 217396 IUPAC Name: 4-(2-methylpropyl)cyclohexane-1-carboxylic acid SMILES: CC(C)CC1CCC(CC1)C(=O)O
| PubChem CID | 217396 |
|---|---|
| CAS | 38792-88-0 |
| Molecular Weight (g/mol) | 184.279 |
| SMILES | CC(C)CC1CCC(CC1)C(=O)O |
| IUPAC Name | 4-(2-methylpropyl)cyclohexane-1-carboxylic acid |
| InChI Key | NFJJRCCYQXONBL-UHFFFAOYSA-N |
| Molecular Formula | C11H20O2 |
2-Isocyanatoethyl Acrylate (stabilized with BHT) 98.0+%, TCI America™
CAS: 13641-96-8 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD11112219 InChI Key: DPNXHTDWGGVXID-UHFFFAOYSA-N Synonym: Acrylic Acid 2-Isocyanatoethyl Ester, 2-(Acryloyloxy)ethyl Isocyanate PubChem CID: 3014768 IUPAC Name: 2-isocyanatoethyl prop-2-enoate SMILES: C=CC(=O)OCCN=C=O
| PubChem CID | 3014768 |
|---|---|
| CAS | 13641-96-8 |
| Molecular Weight (g/mol) | 141.126 |
| MDL Number | MFCD11112219 |
| SMILES | C=CC(=O)OCCN=C=O |
| Synonym | Acrylic Acid 2-Isocyanatoethyl Ester, 2-(Acryloyloxy)ethyl Isocyanate |
| IUPAC Name | 2-isocyanatoethyl prop-2-enoate |
| InChI Key | DPNXHTDWGGVXID-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3 |
Isopropyl 2-Bromo-2-methylpropionate 97.0+%, TCI America™
CAS: 51368-55-9 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.08 MDL Number: MFCD00055235 InChI Key: UNZJYKKJZGIFCG-UHFFFAOYSA-N Synonym: isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester PubChem CID: 2796293 IUPAC Name: propan-2-yl 2-bromo-2-methylpropanoate SMILES: CC(C)OC(=O)C(C)(C)Br
| PubChem CID | 2796293 |
|---|---|
| CAS | 51368-55-9 |
| Molecular Weight (g/mol) | 209.08 |
| MDL Number | MFCD00055235 |
| SMILES | CC(C)OC(=O)C(C)(C)Br |
| Synonym | isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester |
| IUPAC Name | propan-2-yl 2-bromo-2-methylpropanoate |
| InChI Key | UNZJYKKJZGIFCG-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO2 |
2-Imidazolecarboxylic Acid 98.0+%, TCI America™
CAS: 16042-25-4 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 MDL Number: MFCD00270816 InChI Key: KYWMCFOWDYFYLV-UHFFFAOYSA-N Synonym: 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole PubChem CID: 574321 IUPAC Name: 1H-imidazole-2-carboxylic acid SMILES: C1=CN=C(N1)C(=O)O
| PubChem CID | 574321 |
|---|---|
| CAS | 16042-25-4 |
| Molecular Weight (g/mol) | 112.088 |
| MDL Number | MFCD00270816 |
| SMILES | C1=CN=C(N1)C(=O)O |
| Synonym | 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole |
| IUPAC Name | 1H-imidazole-2-carboxylic acid |
| InChI Key | KYWMCFOWDYFYLV-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O2 |
Isoindolin-1-one 98.0+%, TCI America™
CAS: 480-91-1 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD03085939 InChI Key: PXZQEOJJUGGUIB-UHFFFAOYSA-N Synonym: 2,3-Dihydro-1H-isoindol-1-one PubChem CID: 10199 ChEBI: CHEBI:74235 IUPAC Name: 2,3-dihydroisoindol-1-one SMILES: C1C2=CC=CC=C2C(=O)N1
| PubChem CID | 10199 |
|---|---|
| CAS | 480-91-1 |
| Molecular Weight (g/mol) | 133.15 |
| ChEBI | CHEBI:74235 |
| MDL Number | MFCD03085939 |
| SMILES | C1C2=CC=CC=C2C(=O)N1 |
| Synonym | 2,3-Dihydro-1H-isoindol-1-one |
| IUPAC Name | 2,3-dihydroisoindol-1-one |
| InChI Key | PXZQEOJJUGGUIB-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO |
p-Nitrophenyl phosphate disodium salt hexahydrate, >99%, MP Biomedicals™
CAS: 4264-83-9 Molecular Formula: C6H4NNa2O6P Molecular Weight (g/mol): 263.05 MDL Number: MFCD00007319 InChI Key: VIYFPAMJCJLZKD-UHFFFAOYSA-L Synonym: pnpp,disodium 4-nitrophenylphosphate,sodium 4-nitrophenyl phosphate,disodium 4-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, disodium salt,disodium p-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, sodium salt 1:2,p-nitrophenyl phosphate,pnpp liquid substrate system PubChem CID: 77949 SMILES: [Na+].[Na+].[O-][N+](=O)C1=CC=C(OP([O-])([O-])=O)C=C1
| PubChem CID | 77949 |
|---|---|
| CAS | 4264-83-9 |
| Molecular Weight (g/mol) | 263.05 |
| MDL Number | MFCD00007319 |
| SMILES | [Na+].[Na+].[O-][N+](=O)C1=CC=C(OP([O-])([O-])=O)C=C1 |
| Synonym | pnpp,disodium 4-nitrophenylphosphate,sodium 4-nitrophenyl phosphate,disodium 4-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, disodium salt,disodium p-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, sodium salt 1:2,p-nitrophenyl phosphate,pnpp liquid substrate system |
| InChI Key | VIYFPAMJCJLZKD-UHFFFAOYSA-L |
| Molecular Formula | C6H4NNa2O6P |
Pyridoxal-5-Phosphate Monohydrate, Approx. 98%, MP Biomedicals™
CAS: 41468-25-1 Molecular Formula: C8H10NO6P Molecular Weight (g/mol): 247.14 MDL Number: MFCD00006333 InChI Key: NGVDGCNFYWLIFO-UHFFFAOYSA-N Synonym: 4-formyl-5-hydroxy-6-methylpyridin-3-yl methyl dihydrogen phosphate hydrate,pyridoxal phosphate hydrate,pyridoxal 5-phosphate monohydrate,phosphopyridoxal monohydrate,pyridoxyl phosphate monohydrate,unii-5v5ioj8338,pyridoxal-5-phosphate, monohydrate,pyridoxal-5'-phosphate monohydrate,pyridoxal-5-phosphate monohydrate,pyridoxal 5'-phosphate monohydrate PubChem CID: 38882 IUPAC Name: [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid SMILES: CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O
| PubChem CID | 38882 |
|---|---|
| CAS | 41468-25-1 |
| Molecular Weight (g/mol) | 247.14 |
| MDL Number | MFCD00006333 |
| SMILES | CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O |
| Synonym | 4-formyl-5-hydroxy-6-methylpyridin-3-yl methyl dihydrogen phosphate hydrate,pyridoxal phosphate hydrate,pyridoxal 5-phosphate monohydrate,phosphopyridoxal monohydrate,pyridoxyl phosphate monohydrate,unii-5v5ioj8338,pyridoxal-5-phosphate, monohydrate,pyridoxal-5'-phosphate monohydrate,pyridoxal-5-phosphate monohydrate,pyridoxal 5'-phosphate monohydrate |
| IUPAC Name | [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid |
| InChI Key | NGVDGCNFYWLIFO-UHFFFAOYSA-N |
| Molecular Formula | C8H10NO6P |
Succinic acid disodium salt, hexahydrate, >98%, MP Biomedicals™
CAS: 150-90-3 Molecular Formula: C4H4Na2O4 Molecular Weight (g/mol): 162.052 InChI Key: ZDQYSKICYIVCPN-UHFFFAOYSA-L Synonym: disodium succinate,sodium succinate,disodium butanedioate,butanedioic acid, disodium salt,soduxin,succinic acid disodium salt,jantaran sodny czech,unii-v8zgc8isr3,succinic acid, disodium salt,fema no. 3277 PubChem CID: 9020 ChEBI: CHEBI:63675 IUPAC Name: disodium;butanedioate SMILES: C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]
| PubChem CID | 9020 |
|---|---|
| CAS | 150-90-3 |
| Molecular Weight (g/mol) | 162.052 |
| ChEBI | CHEBI:63675 |
| SMILES | C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium succinate,sodium succinate,disodium butanedioate,butanedioic acid, disodium salt,soduxin,succinic acid disodium salt,jantaran sodny czech,unii-v8zgc8isr3,succinic acid, disodium salt,fema no. 3277 |
| IUPAC Name | disodium;butanedioate |
| InChI Key | ZDQYSKICYIVCPN-UHFFFAOYSA-L |
| Molecular Formula | C4H4Na2O4 |