Oxacyclic compounds

Organic heterocyclic compounds that contain one or more oxygen atoms either within the ring's structure or linked to the ring.

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Maleic anhydride, 98+%

CAS: 108-31-6 Molecular Formula: C4H2O3 Molecular Weight (g/mol): 98.06 MDL Number: MFCD00005518 InChI Key: FPYJFEHAWHCUMM-UHFFFAOYSA-N Synonym: maleic anhydride,2,5-furandione,maleic acid anhydride,toxilic anhydride,dihydro-2,5-dioxofuran,cis-butenedioic anhydride,2,5-dihydrofuran-2,5-dione,polymaleic anhydride,maleinanhydrid,rcra waste number u147 PubChem CID: 7923 ChEBI: CHEBI:474859 IUPAC Name: furan-2,5-dione SMILES: O=C1OC(=O)C=C1

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PubChem CID	7923
CAS	108-31-6
Molecular Weight (g/mol)	98.06
ChEBI	CHEBI:474859
MDL Number	MFCD00005518
SMILES	O=C1OC(=O)C=C1
Synonym	maleic anhydride,2,5-furandione,maleic acid anhydride,toxilic anhydride,dihydro-2,5-dioxofuran,cis-butenedioic anhydride,2,5-dihydrofuran-2,5-dione,polymaleic anhydride,maleinanhydrid,rcra waste number u147
IUPAC Name	furan-2,5-dione
InChI Key	FPYJFEHAWHCUMM-UHFFFAOYSA-N
Molecular Formula	C4H2O3

Phthalic anhydride, ACS, 99.0-100.2%

CAS: 85-44-9 Molecular Formula: C8H4O3 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00005918 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N Synonym: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 IUPAC Name: 2-benzofuran-1,3-dione SMILES: O=C1OC(=O)C2=CC=CC=C12

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Specifications

PubChem CID	6811
CAS	85-44-9
Molecular Weight (g/mol)	148.12
ChEBI	CHEBI:36605
MDL Number	MFCD00005918
SMILES	O=C1OC(=O)C2=CC=CC=C12
Synonym	phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen
IUPAC Name	2-benzofuran-1,3-dione
InChI Key	LGRFSURHDFAFJT-UHFFFAOYSA-N
Molecular Formula	C8H4O3

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PubChem CID	7923
CAS	108-31-6
Molecular Weight (g/mol)	98.06
ChEBI	CHEBI:474859
MDL Number	MFCD00005518
SMILES	O=C1OC(=O)C=C1
Synonym	maleic anhydride,2,5-furandione,maleic acid anhydride,toxilic anhydride,dihydro-2,5-dioxofuran,cis-butenedioic anhydride,2,5-dihydrofuran-2,5-dione,polymaleic anhydride,maleinanhydrid,rcra waste number u147
InChI Key	FPYJFEHAWHCUMM-UHFFFAOYSA-N
Molecular Formula	C4H2O3

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5-Aminophthalide, 97%, Thermo Scientific Chemicals

CAS: 65399-05-5 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00778315 InChI Key: ISMUWQMUWFPFBZ-UHFFFAOYSA-N Synonym: 5-aminophthalide,5-aminoisobenzofuran-1 3h-one,5-amino-3h-isobenzofuran-1-one,5-amino-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 5-amino,5-amino-1 3h-isobenzofuranone,5-amino-1,3-dihydro-2-benzofuran-1-one,5-amino-3-hydroisobenzofuran-1-one,5-aminophthliade,5-amino-phthalide PubChem CID: 720669 IUPAC Name: 5-amino-3H-2-benzofuran-1-one SMILES: C1C2=C(C=CC(=C2)N)C(=O)O1

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PubChem CID	720669
CAS	65399-05-5
Molecular Weight (g/mol)	149.149
MDL Number	MFCD00778315
SMILES	C1C2=C(C=CC(=C2)N)C(=O)O1
Synonym	5-aminophthalide,5-aminoisobenzofuran-1 3h-one,5-amino-3h-isobenzofuran-1-one,5-amino-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 5-amino,5-amino-1 3h-isobenzofuranone,5-amino-1,3-dihydro-2-benzofuran-1-one,5-amino-3-hydroisobenzofuran-1-one,5-aminophthliade,5-amino-phthalide
IUPAC Name	5-amino-3H-2-benzofuran-1-one
InChI Key	ISMUWQMUWFPFBZ-UHFFFAOYSA-N
Molecular Formula	C8H7NO2

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2,2-Dimethyl-1,3-dioxolane, 98+%

CAS: 2916-31-6 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00014106 InChI Key: SIJBDWPVNAYVGY-UHFFFAOYSA-N PubChem CID: 76209 IUPAC Name: 2,2-dimethyl-1,3-dioxolane SMILES: CC1(C)OCCO1

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PubChem CID	76209
CAS	2916-31-6
Molecular Weight (g/mol)	102.13
MDL Number	MFCD00014106
SMILES	CC1(C)OCCO1
IUPAC Name	2,2-dimethyl-1,3-dioxolane
InChI Key	SIJBDWPVNAYVGY-UHFFFAOYSA-N
Molecular Formula	C5H10O2

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Citraconic anhydride, 98%

CAS: 616-02-4 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.084 MDL Number: MFCD00005522 InChI Key: AYKYXWQEBUNJCN-UHFFFAOYSA-N Synonym: citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx PubChem CID: 12012 IUPAC Name: 3-methylfuran-2,5-dione SMILES: CC1=CC(=O)OC1=O

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PubChem CID	12012
CAS	616-02-4
Molecular Weight (g/mol)	112.084
MDL Number	MFCD00005522
SMILES	CC1=CC(=O)OC1=O
Synonym	citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx
IUPAC Name	3-methylfuran-2,5-dione
InChI Key	AYKYXWQEBUNJCN-UHFFFAOYSA-N
Molecular Formula	C5H4O3

Ifosfamide

CAS: 3778-73-2 Molecular Formula: C₇H₁₅Cl₂N₂O₂P Molecular Weight (g/mol): 261.09 InChI Key: HOMGKSMUEGBAAB-UHFFFAOYSA-N Synonym: ifosfamide,isophosphamide,iphosphamide,isofosfamide,ifosfamid,mitoxana,naxamide,iphosphamid,isoendoxan,ifex PubChem CID: 3690 ChEBI: CHEBI:5864 IUPAC Name: N,3-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine SMILES: C1CN(P(=O)(OC1)NCCCl)CCCl

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Specifications

PubChem CID	3690
CAS	3778-73-2
Molecular Weight (g/mol)	261.09
ChEBI	CHEBI:5864
SMILES	C1CN(P(=O)(OC1)NCCCl)CCCl
Synonym	ifosfamide,isophosphamide,iphosphamide,isofosfamide,ifosfamid,mitoxana,naxamide,iphosphamid,isoendoxan,ifex
IUPAC Name	N,3-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine
InChI Key	HOMGKSMUEGBAAB-UHFFFAOYSA-N
Molecular Formula	C₇H₁₅Cl₂N₂O₂P

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alpha-Naphthoflavone, 97%

CAS: 604-59-1 Molecular Formula: C₁₉H₁₂O₂ Molecular Weight (g/mol): 272.29 MDL Number: MFCD00004985 InChI Key: VFMMPHCGEFXGIP-UHFFFAOYSA-N Synonym: alpha-naphthoflavone,7,8-benzoflavone,2-phenyl-4h-benzo h chromen-4-one,alpha-naphthylflavone,2-phenylbenzo h chromen-4-one,benzo h flavone,4h-naphtho 1,2-b pyran-4-one, 2-phenyl,.alpha.-naphthoflavone,2-phenyl-benzo h chromen-4-one,2-phenyl-4h-naphtho 1,2-b pyran-4-one PubChem CID: 11790 ChEBI: CHEBI:76995 IUPAC Name: 2-phenylbenzo[h]chromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3

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Specifications

PubChem CID	11790
CAS	604-59-1
Molecular Weight (g/mol)	272.29
ChEBI	CHEBI:76995
MDL Number	MFCD00004985
SMILES	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
Synonym	alpha-naphthoflavone,7,8-benzoflavone,2-phenyl-4h-benzo h chromen-4-one,alpha-naphthylflavone,2-phenylbenzo h chromen-4-one,benzo h flavone,4h-naphtho 1,2-b pyran-4-one, 2-phenyl,.alpha.-naphthoflavone,2-phenyl-benzo h chromen-4-one,2-phenyl-4h-naphtho 1,2-b pyran-4-one
IUPAC Name	2-phenylbenzo[h]chromen-4-one
InChI Key	VFMMPHCGEFXGIP-UHFFFAOYSA-N
Molecular Formula	C₁₉H₁₂O₂

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Benzo[b]furan-3-acetonitrile, 99%

CAS: 52407-43-9 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD02183555 InChI Key: BJAJKVZABJZXDC-UHFFFAOYSA-N Synonym: 1-benzofuran-3-ylacetonitrile,3-benzo b furylacetonitrile,benzofuran-3-acetonitrile,2-benzofuran-3-yl acetonitrile,benzo b furan-3-acetonitrile,2-3-benzofuranyl acetonitrile,2-1-benzofuran-3-yl acetonitrile,2-benzo b furan-3-ylethanenitrile,pubchem7006,3-benzofuranylacetonitrile PubChem CID: 2769401 IUPAC Name: 2-(1-benzofuran-3-yl)acetonitrile SMILES: C1=CC=C2C(=C1)C(=CO2)CC#N

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Specifications

PubChem CID	2769401
CAS	52407-43-9
Molecular Weight (g/mol)	157.172
MDL Number	MFCD02183555
SMILES	C1=CC=C2C(=C1)C(=CO2)CC#N
Synonym	1-benzofuran-3-ylacetonitrile,3-benzo b furylacetonitrile,benzofuran-3-acetonitrile,2-benzofuran-3-yl acetonitrile,benzo b furan-3-acetonitrile,2-3-benzofuranyl acetonitrile,2-1-benzofuran-3-yl acetonitrile,2-benzo b furan-3-ylethanenitrile,pubchem7006,3-benzofuranylacetonitrile
IUPAC Name	2-(1-benzofuran-3-yl)acetonitrile
InChI Key	BJAJKVZABJZXDC-UHFFFAOYSA-N
Molecular Formula	C10H7NO

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5-(2-Pyridyl)-1,3-oxazole, 97%

CAS: 70380-73-3 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.149 MDL Number: MFCD00085160 InChI Key: LUMKXMDGONYZHO-UHFFFAOYSA-N PubChem CID: 737194 IUPAC Name: 5-pyridin-2-yl-1,3-oxazole SMILES: C1=CC=NC(=C1)C2=CN=CO2

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Specifications

PubChem CID	737194
CAS	70380-73-3
Molecular Weight (g/mol)	146.149
MDL Number	MFCD00085160
SMILES	C1=CC=NC(=C1)C2=CN=CO2
IUPAC Name	5-pyridin-2-yl-1,3-oxazole
InChI Key	LUMKXMDGONYZHO-UHFFFAOYSA-N
Molecular Formula	C8H6N2O

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2,3-Diphenylmaleic anhydride, 98%

CAS: 4808-48-4 Molecular Formula: C16H10O3 Molecular Weight (g/mol): 250.253 MDL Number: MFCD00005521 InChI Key: OUJCFCNZIUTYBH-UHFFFAOYSA-N Synonym: 2,3-diphenylmaleic anhydride,diphenylmaleic anhydride,3,4-diphenyl-2,5-furandione,diphenylfuran-2,5-dione,2,3-diphenylmaleicanhydride,2,5-furandione, 3,4-diphenyl,acmc-1asck,2, 3,4-diphenyl,diphenyl-maleic anhydride,2,5-furandione,3,4-diphenyl PubChem CID: 78530 IUPAC Name: 3,4-diphenylfuran-2,5-dione SMILES: C1=CC=C(C=C1)C2=C(C(=O)OC2=O)C3=CC=CC=C3

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Specifications

PubChem CID	78530
CAS	4808-48-4
Molecular Weight (g/mol)	250.253
MDL Number	MFCD00005521
SMILES	C1=CC=C(C=C1)C2=C(C(=O)OC2=O)C3=CC=CC=C3
Synonym	2,3-diphenylmaleic anhydride,diphenylmaleic anhydride,3,4-diphenyl-2,5-furandione,diphenylfuran-2,5-dione,2,3-diphenylmaleicanhydride,2,5-furandione, 3,4-diphenyl,acmc-1asck,2, 3,4-diphenyl,diphenyl-maleic anhydride,2,5-furandione,3,4-diphenyl
IUPAC Name	3,4-diphenylfuran-2,5-dione
InChI Key	OUJCFCNZIUTYBH-UHFFFAOYSA-N
Molecular Formula	C16H10O3

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Chloroxazone, 98%

CAS: 95-25-0 Molecular Formula: C₇H₄ClNO₂ Molecular Weight (g/mol): 169.57 MDL Number: MFCD00005717 InChI Key: TZFWDZFKRBELIQ-UHFFFAOYSA-N Synonym: chlorzoxazone,chlorzoxazon,paraflex,chloroxazone,5-chloro-2-benzoxazolone,biomioran,escoflex,myoflexin,myoflexine,pathorysin PubChem CID: 2733 ChEBI: CHEBI:3655 IUPAC Name: 5-chloro-3H-1,3-benzoxazol-2-one SMILES: C1=CC2=C(C=C1Cl)NC(=O)O2

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Specifications

PubChem CID	2733
CAS	95-25-0
Molecular Weight (g/mol)	169.57
ChEBI	CHEBI:3655
MDL Number	MFCD00005717
SMILES	C1=CC2=C(C=C1Cl)NC(=O)O2
Synonym	chlorzoxazone,chlorzoxazon,paraflex,chloroxazone,5-chloro-2-benzoxazolone,biomioran,escoflex,myoflexin,myoflexine,pathorysin
IUPAC Name	5-chloro-3H-1,3-benzoxazol-2-one
InChI Key	TZFWDZFKRBELIQ-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₂

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6-Aminophthalide, 95%

CAS: 57319-65-0 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00033530 InChI Key: ZIJZDNKZJZUROE-UHFFFAOYSA-N Synonym: 6-aminophthalide,6-aminoisobenzofuran-1 3h-one,6-amino-1,3-dihydroisobenzofuran-1-one,6-amino-2-benzofuran-1 3h-one,6-amino-3h-isobenzofuran-1-one,1 3h-isobenzofuranone, 6-amino,6-amino-1,3-dihydro-2-benzofuran-1-one,6-amino-1 3h-isobenzofuranone,6-amino-3-hydroisobenzofuran-1-one,6-aminophthalid PubChem CID: 93631 IUPAC Name: 6-amino-3H-2-benzofuran-1-one SMILES: C1C2=C(C=C(C=C2)N)C(=O)O1

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Specifications

PubChem CID	93631
CAS	57319-65-0
Molecular Weight (g/mol)	149.149
MDL Number	MFCD00033530
SMILES	C1C2=C(C=C(C=C2)N)C(=O)O1
Synonym	6-aminophthalide,6-aminoisobenzofuran-1 3h-one,6-amino-1,3-dihydroisobenzofuran-1-one,6-amino-2-benzofuran-1 3h-one,6-amino-3h-isobenzofuran-1-one,1 3h-isobenzofuranone, 6-amino,6-amino-1,3-dihydro-2-benzofuran-1-one,6-amino-1 3h-isobenzofuranone,6-amino-3-hydroisobenzofuran-1-one,6-aminophthalid
IUPAC Name	6-amino-3H-2-benzofuran-1-one
InChI Key	ZIJZDNKZJZUROE-UHFFFAOYSA-N
Molecular Formula	C8H7NO2

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6-Methylchromone, 98%

CAS: 38445-23-7 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00218598 InChI Key: HTXQVFXXVXOLCF-UHFFFAOYSA-N Synonym: 6-methylchromone,6-methyl-4h-chromen-4-one,6-methylchromone hydrate,chromone, 6-methyl,acmc-20aly0,6-methyl-4h-chromen-4-one #,6-methyl-4-oxo-4h-1-benzopyran,6-methyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-methyl PubChem CID: 594810 IUPAC Name: 6-methylchromen-4-one SMILES: CC1=CC2=C(C=C1)OC=CC2=O

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Specifications

PubChem CID	594810
CAS	38445-23-7
Molecular Weight (g/mol)	160.172
MDL Number	MFCD00218598
SMILES	CC1=CC2=C(C=C1)OC=CC2=O
Synonym	6-methylchromone,6-methyl-4h-chromen-4-one,6-methylchromone hydrate,chromone, 6-methyl,acmc-20aly0,6-methyl-4h-chromen-4-one #,6-methyl-4-oxo-4h-1-benzopyran,6-methyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-methyl
IUPAC Name	6-methylchromen-4-one
InChI Key	HTXQVFXXVXOLCF-UHFFFAOYSA-N
Molecular Formula	C10H8O2

4,5',8-Trimethylpsoralen, 99%

CAS: 3902-71-4 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00005010 InChI Key: FMHHVULEAZTJMA-UHFFFAOYSA-N Synonym: trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen PubChem CID: 5585 ChEBI: CHEBI:28329 IUPAC Name: 2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one SMILES: CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1

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Specifications

PubChem CID	5585
CAS	3902-71-4
Molecular Weight (g/mol)	228.25
ChEBI	CHEBI:28329
MDL Number	MFCD00005010
SMILES	CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1
Synonym	trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen
IUPAC Name	2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one
InChI Key	FMHHVULEAZTJMA-UHFFFAOYSA-N
Molecular Formula	C14H12O3

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