(1-Methyl-2-oxopyridin-3-yl) acetate

HCID 319860

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Basic information

CAS: 22013-09-8
Standard SMILES: CC(=O)Oc1cccn(C)c1=O
InChIKey: HPCZHRFGWBOEED-UHFFFAOYSA-N
Molecular formula: C8H9NO3
Average molar mass: 167.16 g/mol
Monoisotopic mass: 167.05824315

Names & identifiers

Preferred name: (1-Methyl-2-oxopyridin-3-yl) acetate
IUPAC: (1-methyl-2-oxo-3-pyridinyl) acetate

Names & synonyms

(1-methyl-2-oxopyridin-3-yl) acetate22013-09-8NSC-2654842(1H)-Pyridinone, 3-(acetyloxy)-1-methyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl acetateNSC265484JD9S6R499GSCHEMBL27757236DTXSID603130073-(ACETYLOXY)-1-METHYL-2(1H)-PYRIDINONE2(1H)-PYRIDONE, 3-HYDROXY-1-METHYL-, ACETATE (ESTER)

Database identifiers

CAS: 22013-09-8
PubChem CID: 319860
DTXSID: DTXSID60313007
UNII: JD9S6R499G

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 278

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