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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Psoralen, 97%, Thermo Scientific Chemicals

CAS: 66-97-7 Molecular Formula: C11H6O3 Molecular Weight (g/mol): 186.17 MDL Number: MFCD00010520 InChI Key: ZCCUUQDIBDJBTK-UHFFFAOYSA-N Synonym: psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin PubChem CID: 6199 ChEBI: CHEBI:27616 IUPAC Name: 7H-furo[3,2-g]chromen-7-one SMILES: O=C1OC2=CC3=C(C=CO3)C=C2C=C1

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PubChem CID	6199
CAS	66-97-7
Molecular Weight (g/mol)	186.17
ChEBI	CHEBI:27616
MDL Number	MFCD00010520
SMILES	O=C1OC2=CC3=C(C=CO3)C=C2C=C1
Synonym	psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin
IUPAC Name	7H-furo[3,2-g]chromen-7-one
InChI Key	ZCCUUQDIBDJBTK-UHFFFAOYSA-N
Molecular Formula	C11H6O3

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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Specifications

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

9,9-Dimethylxanthene, 98+%, Thermo Scientific Chemicals

CAS: 19814-75-6 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.28 MDL Number: MFCD00134434 InChI Key: MTVNAPYHLASOSX-UHFFFAOYSA-N Synonym: 9,9-dimethyl-9h-xanthene,9h-xanthene, 9,9-dimethyl,9,9-dimethylxantene,9,9-dimethyl xanthene,xanthene, 9,9-dimethyl,ksc182m0n,9,9-dimethylxanthene,9,9-dimethyl-9h-xanthene # PubChem CID: 606997 SMILES: CC1(C)C2=CC=CC=C2OC2=CC=CC=C12

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Specifications

PubChem CID	606997
CAS	19814-75-6
Molecular Weight (g/mol)	210.28
MDL Number	MFCD00134434
SMILES	CC1(C)C2=CC=CC=C2OC2=CC=CC=C12
Synonym	9,9-dimethyl-9h-xanthene,9h-xanthene, 9,9-dimethyl,9,9-dimethylxantene,9,9-dimethyl xanthene,xanthene, 9,9-dimethyl,ksc182m0n,9,9-dimethylxanthene,9,9-dimethyl-9h-xanthene #
InChI Key	MTVNAPYHLASOSX-UHFFFAOYSA-N
Molecular Formula	C15H14O

3-Methylphthalic anhydride, 96%, Thermo Scientific Chemicals

CAS: 4792-30-7 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00047316 InChI Key: TWWAWPHAOPTQEU-UHFFFAOYSA-N Synonym: 3-methylphthalic anhydride,4-methylisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-methyl,3-methyl phthalic anhydride,methylphthalic anhydride,phthalic anhydride, 3-methyl,2,3-toluenedicarboxylic anhydride,1,3-isobenzofurandione, methyl,4-methyl-1,3-dihydro-2-benzofuran-1,3-dione,acmc-1arrb PubChem CID: 98500 IUPAC Name: 4-methyl-2-benzofuran-1,3-dione SMILES: CC1=CC=CC2=C1C(=O)OC2=O

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Specifications

PubChem CID	98500
CAS	4792-30-7
Molecular Weight (g/mol)	162.14
MDL Number	MFCD00047316
SMILES	CC1=CC=CC2=C1C(=O)OC2=O
Synonym	3-methylphthalic anhydride,4-methylisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-methyl,3-methyl phthalic anhydride,methylphthalic anhydride,phthalic anhydride, 3-methyl,2,3-toluenedicarboxylic anhydride,1,3-isobenzofurandione, methyl,4-methyl-1,3-dihydro-2-benzofuran-1,3-dione,acmc-1arrb
IUPAC Name	4-methyl-2-benzofuran-1,3-dione
InChI Key	TWWAWPHAOPTQEU-UHFFFAOYSA-N
Molecular Formula	C9H6O3

Ethyl 3-(2-furyl)-1H-pyrazole-5-carboxylate, 98%, Thermo Scientific Chemicals

CAS: 33545-44-7 Molecular Formula: C10H10N2O3 Molecular Weight (g/mol): 206.20 MDL Number: MFCD09953454,MFCD06797478 InChI Key: GSVBXAZEQDJUOY-UHFFFAOYSA-N Synonym: ethyl 5-2-furyl-1h-pyrazole-3-carboxylate,ethyl 5-furan-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-furan-2-yl-1h-pyrazole-5-carboxylate,ethyl 5-fur-2-yl-1h-pyrazole-3-carboxylate,ethyl 5-2-furyl pyrazole-3-carboxylate,ethyl 5-furan-2-yl-2h-pyrazole-3-carboxylate,aronis23991,ethyl 3-2-furyl pyrazole-5-carboxylate,1h-pyrazole-3-carboxylicacid, 5-2-furanyl-, ethyl ester PubChem CID: 7127811 IUPAC Name: ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate SMILES: CCOC(=O)C1=CC(=NN1)C1=CC=CO1

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Specifications

PubChem CID	7127811
CAS	33545-44-7
Molecular Weight (g/mol)	206.20
MDL Number	MFCD09953454,MFCD06797478
SMILES	CCOC(=O)C1=CC(=NN1)C1=CC=CO1
Synonym	ethyl 5-2-furyl-1h-pyrazole-3-carboxylate,ethyl 5-furan-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-furan-2-yl-1h-pyrazole-5-carboxylate,ethyl 5-fur-2-yl-1h-pyrazole-3-carboxylate,ethyl 5-2-furyl pyrazole-3-carboxylate,ethyl 5-furan-2-yl-2h-pyrazole-3-carboxylate,aronis23991,ethyl 3-2-furyl pyrazole-5-carboxylate,1h-pyrazole-3-carboxylicacid, 5-2-furanyl-, ethyl ester
IUPAC Name	ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
InChI Key	GSVBXAZEQDJUOY-UHFFFAOYSA-N
Molecular Formula	C10H10N2O3

5-(5-Methyl-2-furyl)thieno[2,3-d]pyrimidin-4(3H)-one, 97%, Thermo Scientific Chemicals

CAS: 1421263-42-4 Molecular Formula: C11H8N2O2S Molecular Weight (g/mol): 232.257 MDL Number: MFCD22988976 InChI Key: PMVYUYYRYHAMLD-UHFFFAOYSA-N Synonym: 5-5-methyl-2-furyl thieno 2,3-d pyrimidin-4 3h-one,5-5-methylfuran-2-yl-3h-thieno 2,3-d pyrimidin-4-one PubChem CID: 97030364 IUPAC Name: 5-(5-methylfuran-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one SMILES: CC1=CC=C(O1)C2=CSC3=C2C(=O)NC=N3

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Specifications

PubChem CID	97030364
CAS	1421263-42-4
Molecular Weight (g/mol)	232.257
MDL Number	MFCD22988976
SMILES	CC1=CC=C(O1)C2=CSC3=C2C(=O)NC=N3
Synonym	5-5-methyl-2-furyl thieno 2,3-d pyrimidin-4 3h-one,5-5-methylfuran-2-yl-3h-thieno 2,3-d pyrimidin-4-one
IUPAC Name	5-(5-methylfuran-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
InChI Key	PMVYUYYRYHAMLD-UHFFFAOYSA-N
Molecular Formula	C11H8N2O2S

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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Specifications

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 reagent

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 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
InChI Key	LGRFSURHDFAFJT-UHFFFAOYSA-N
Molecular Formula	C8H4O3

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

Phthalic Anhydride, 99%

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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
InChI Key	LGRFSURHDFAFJT-UHFFFAOYSA-N
Molecular Formula	C8H4O3

Phthalic anhydride, ACS, 99.0-100.2%

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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

Oxazole, 98+%

CAS: 288-42-6 Molecular Formula: C3H3NO Molecular Weight (g/mol): 69.063 MDL Number: MFCD00009751 InChI Key: ZCQWOFVYLHDMMC-UHFFFAOYSA-N Synonym: oxazole,unii-fjz20i1lps,fjz20i1lps,oxazol,1,3-oxazol,pubchem8626,oxazole 1g PubChem CID: 9255 ChEBI: CHEBI:35597 IUPAC Name: 1,3-oxazole SMILES: C1=COC=N1

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Specifications

PubChem CID	9255
CAS	288-42-6
Molecular Weight (g/mol)	69.063
ChEBI	CHEBI:35597
MDL Number	MFCD00009751
SMILES	C1=COC=N1
Synonym	oxazole,unii-fjz20i1lps,fjz20i1lps,oxazol,1,3-oxazol,pubchem8626,oxazole 1g
IUPAC Name	1,3-oxazole
InChI Key	ZCQWOFVYLHDMMC-UHFFFAOYSA-N
Molecular Formula	C3H3NO

3-(2-Furyl)benzoic acid, 97%, Thermo Scientific™

CAS: 35461-99-5 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.182 MDL Number: MFCD02690979 InChI Key: RQVVFGRDMHDHNI-UHFFFAOYSA-N Synonym: 3-furan-2-yl benzoic acid,3-2-furyl benzoic acid,3-fur-2-ylbenzoic acid,3-furan-2-yl-benzoic acid,m-2-furyl benzoic acid,benzoic acid, 3-2-furanyl PubChem CID: 5037933 IUPAC Name: 3-(furan-2-yl)benzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC=CO2

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Specifications

PubChem CID	5037933
CAS	35461-99-5
Molecular Weight (g/mol)	188.182
MDL Number	MFCD02690979
SMILES	C1=CC(=CC(=C1)C(=O)O)C2=CC=CO2
Synonym	3-furan-2-yl benzoic acid,3-2-furyl benzoic acid,3-fur-2-ylbenzoic acid,3-furan-2-yl-benzoic acid,m-2-furyl benzoic acid,benzoic acid, 3-2-furanyl
IUPAC Name	3-(furan-2-yl)benzoic acid
InChI Key	RQVVFGRDMHDHNI-UHFFFAOYSA-N
Molecular Formula	C11H8O3

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

2,3-Pyrazinedicarboxylic anhydride, 97%

CAS: 4744-50-7 Molecular Formula: C6H2N2O3 Molecular Weight (g/mol): 150.09 MDL Number: MFCD00179418 InChI Key: AWJWCTOOIBYHON-UHFFFAOYSA-N Synonym: furo 3,4-b pyrazine-5,7-dione,2,3-pyrazinedicarboxylic anhydride,2,3-pyrazinecarboxylic anhydride,pyrazine-2,3-dicarboxylic anhydride,5h,7h-furo 3,4-b pyrazine-5,7-dione,furano 3,4-b pyrazine-5,7-dione,pubchem17535,2,3-pyrazinedicarboxylic anhydride treated bsa PubChem CID: 78482 IUPAC Name: 5H,7H-furo[3,4-b]pyrazine-5,7-dione SMILES: O=C1OC(=O)C2=NC=CN=C12

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Specifications

PubChem CID	78482
CAS	4744-50-7
Molecular Weight (g/mol)	150.09
MDL Number	MFCD00179418
SMILES	O=C1OC(=O)C2=NC=CN=C12
Synonym	furo 3,4-b pyrazine-5,7-dione,2,3-pyrazinedicarboxylic anhydride,2,3-pyrazinecarboxylic anhydride,pyrazine-2,3-dicarboxylic anhydride,5h,7h-furo 3,4-b pyrazine-5,7-dione,furano 3,4-b pyrazine-5,7-dione,pubchem17535,2,3-pyrazinedicarboxylic anhydride treated bsa
IUPAC Name	5H,7H-furo[3,4-b]pyrazine-5,7-dione
InChI Key	AWJWCTOOIBYHON-UHFFFAOYSA-N
Molecular Formula	C6H2N2O3

Oxacyclic compounds

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