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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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1
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4,6-Diphenyl-2-pyrone, 98%

CAS: 17372-52-0 Molecular Formula: C17H12O2 Molecular Weight (g/mol): 248.28 MDL Number: MFCD00031018 InChI Key: DDGIHXFDWLCKRZ-UHFFFAOYSA-N PubChem CID: 296685 IUPAC Name: 4,6-diphenylpyran-2-one SMILES: O=C1OC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 296685
CAS 17372-52-0
Molecular Weight (g/mol) 248.28
MDL Number MFCD00031018
SMILES O=C1OC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name 4,6-diphenylpyran-2-one
InChI Key DDGIHXFDWLCKRZ-UHFFFAOYSA-N
Molecular Formula C17H12O2
2
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Ethyl 3-(2-furyl)propionate, 98%

CAS: 10031-90-0 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00036496 InChI Key: OWIWZQQFSTZZIG-UHFFFAOYSA-N Synonym: ethyl 3-2-furyl propionate,ethyl 2-furanpropionate,2-furanpropanoic acid, ethyl ester,ethyl 3-2-furyl propanoate,ethyl furfhydracrylate,ethyl furfurylacetate,ethyl 3-furan-2-yl propanoate,2-furanpropionic acid, ethyl ester,ethyl 2-furanpropanoate,ethyl furan-2-propionate PubChem CID: 61450 IUPAC Name: ethyl 3-(furan-2-yl)propanoate SMILES: CCOC(=O)CCC1=CC=CO1

PubChem CID 61450
CAS 10031-90-0
Molecular Weight (g/mol) 168.192
MDL Number MFCD00036496
SMILES CCOC(=O)CCC1=CC=CO1
Synonym ethyl 3-2-furyl propionate,ethyl 2-furanpropionate,2-furanpropanoic acid, ethyl ester,ethyl 3-2-furyl propanoate,ethyl furfhydracrylate,ethyl furfurylacetate,ethyl 3-furan-2-yl propanoate,2-furanpropionic acid, ethyl ester,ethyl 2-furanpropanoate,ethyl furan-2-propionate
IUPAC Name ethyl 3-(furan-2-yl)propanoate
InChI Key OWIWZQQFSTZZIG-UHFFFAOYSA-N
Molecular Formula C9H12O3
3
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Phthalide, 98+%

CAS: 87-41-2 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00005906 InChI Key: WNZQDUSMALZDQF-UHFFFAOYSA-N Synonym: phthalide,isobenzofuran-1 3h-one,1 3h-isobenzofuranone,1-phthalanone,phthalolactone,2-benzofuran-1 3h-one,isobenzofuranone,phthalanone,3h-isobenzofuran-1-one,2-hydroxymethylbenzoic acid, gamma-lactone PubChem CID: 6885 ChEBI: CHEBI:38085 IUPAC Name: 3H-2-benzofuran-1-one SMILES: C1C2=CC=CC=C2C(=O)O1

PubChem CID 6885
CAS 87-41-2
Molecular Weight (g/mol) 134.134
ChEBI CHEBI:38085
MDL Number MFCD00005906
SMILES C1C2=CC=CC=C2C(=O)O1
Synonym phthalide,isobenzofuran-1 3h-one,1 3h-isobenzofuranone,1-phthalanone,phthalolactone,2-benzofuran-1 3h-one,isobenzofuranone,phthalanone,3h-isobenzofuran-1-one,2-hydroxymethylbenzoic acid, gamma-lactone
IUPAC Name 3H-2-benzofuran-1-one
InChI Key WNZQDUSMALZDQF-UHFFFAOYSA-N
Molecular Formula C8H6O2
4
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Xanthydrol, 98+%

CAS: 90-46-0 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00005057 InChI Key: JFRMYMMIJXLMBB-UHFFFAOYSA-N Synonym: 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol PubChem CID: 72861 IUPAC Name: 9H-xanthen-9-ol SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O

PubChem CID 72861
CAS 90-46-0
Molecular Weight (g/mol) 198.221
MDL Number MFCD00005057
SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
Synonym 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol
IUPAC Name 9H-xanthen-9-ol
InChI Key JFRMYMMIJXLMBB-UHFFFAOYSA-N
Molecular Formula C13H10O2
5
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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

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
6
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2-Benzoxazolinone, 98%

CAS: 59-49-4 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 MDL Number: MFCD00005716 InChI Key: ASSKVPFEZFQQNQ-UHFFFAOYSA-N Synonym: 2-benzoxazolinone,benzoxazolinone,benzoxazolone,2-hydroxybenzoxazole,2-benzoxazolol,2 3h-benzoxazolone,1,3-benzoxazol-2 3h-one,2-benzoxazolone,benzo d oxazol-2 3h-one,benzoxazolin-2-one PubChem CID: 6043 IUPAC Name: 2,3-dihydro-1,3-benzoxazol-2-one SMILES: O=C1NC2=CC=CC=C2O1

PubChem CID 6043
CAS 59-49-4
Molecular Weight (g/mol) 135.12
MDL Number MFCD00005716
SMILES O=C1NC2=CC=CC=C2O1
Synonym 2-benzoxazolinone,benzoxazolinone,benzoxazolone,2-hydroxybenzoxazole,2-benzoxazolol,2 3h-benzoxazolone,1,3-benzoxazol-2 3h-one,2-benzoxazolone,benzo d oxazol-2 3h-one,benzoxazolin-2-one
IUPAC Name 2,3-dihydro-1,3-benzoxazol-2-one
InChI Key ASSKVPFEZFQQNQ-UHFFFAOYSA-N
Molecular Formula C7H5NO2
7
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Citraconic anhydride, 98%

CAS: 616-02-4 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.08 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

PubChem CID 12012
CAS 616-02-4
Molecular Weight (g/mol) 112.08
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
8
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9-Hydroxyxanthene, 97+%

CAS: 90-46-0 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00005057 InChI Key: JFRMYMMIJXLMBB-UHFFFAOYSA-N Synonym: 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol PubChem CID: 72861 IUPAC Name: 9H-xanthen-9-ol SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O

PubChem CID 72861
CAS 90-46-0
Molecular Weight (g/mol) 198.22
MDL Number MFCD00005057
SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
Synonym 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol
IUPAC Name 9H-xanthen-9-ol
InChI Key JFRMYMMIJXLMBB-UHFFFAOYSA-N
Molecular Formula C13H10O2
9
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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

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
10
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2,2,4-Trimethyl-1,3-dioxolane, 99%

CAS: 1193-11-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00090841 InChI Key: ALTFLAPROMVXNX-UHFFFAOYNA-N PubChem CID: 62384 IUPAC Name: 2,2,4-trimethyl-1,3-dioxolane SMILES: CC1COC(C)(C)O1

PubChem CID 62384
CAS 1193-11-9
Molecular Weight (g/mol) 116.16
MDL Number MFCD00090841
SMILES CC1COC(C)(C)O1
IUPAC Name 2,2,4-trimethyl-1,3-dioxolane
InChI Key ALTFLAPROMVXNX-UHFFFAOYNA-N
Molecular Formula C6H12O2
11

Sigma Aldrich 6-Methylchromone-2-carboxylic acid

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 5006-44-0
12

Sigma Aldrich Citraconic anhydride

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Boiling Point 213°C to 214°C
Linear Formula C5H4O3
Molecular Weight (g/mol) 112.08
Density 1.247 g/mL (at 25°C)
Percent Purity 98%
CAS 616-02-4
MDL Number MFCD00005522
Refractive Index n20/D 1.471 (literature)
Synonym 2-Methylmaleic anhydride; 3-Methyl-2,5-furandione; Citraconic acid anhydride; Methylmaleic anhydride; Monomethylmaleic anhydride
RTECS Number GE6825000
Recommended Storage Room Temperature
Molecular Formula C5H4O3
EINECS Number 210-459-0
Melting Point 6°C to 10°C