Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate

HCID 49593

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Basic information

CAS: 67210-67-7
Standard SMILES: CC(=O)Oc1cc(OC(C)=O)c2cc(-c3cccnc3)c(=O)oc2c1
InChIKey: WPVQLOGAARNABC-UHFFFAOYSA-N
Molecular formula: C18H13NO6
Average molar mass: 339.3 g/mol
Monoisotopic mass: 339.07428713

Names & identifiers

Preferred name: Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate
IUPAC: (5-acetyloxy-2-oxo-3-pyridin-3-ylchromen-7-yl) acetate
English name: 5,7-Diacetoxy-3-(3-pyridyl)-2H-1-benzopyran-2-one
Molecular formula: C18H13NO6
Molecular weight: 339.3

Names & synonyms

BRN 10904795,7-Diacetoxy-3-(3-pyridyl)coumarinCOUMARIN, 5,7-DIHYDROXY-3-(3-PYRIDYL)-, DIACETATE67210-67-75,7-Dihydroxy-3-(3-pyridyl)coumarin diacetateDTXSID60217531RefChem:334440DTXCID101400227-(acetyloxy)-2-oxo-3-(pyridin-3-yl)-2H-chromen-5-yl acetate2-oxo-3-(pyridin-3-yl)-2H-chromene-5,7-diyl diacetate2-Oxo-3-(pyridin-3-yl)-2H-1-benzopyran-5,7-diyl diacetate5-(acetyloxy)-2-oxo-3-(3-pyridinyl)-2H-chromen-7-yl acetate

Show more names

5,7-Diacetoxy-3-(3-pyridyl)-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 5,7-bis(acetyloxy)-3-(3-pyridinyl)-

Database identifiers

CAS: 67210-67-7
PubChem CID: 49593
DTXSID

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 91.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 586

Chemistry & industry

Suppliers1 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

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