4-Methoxy-6-(2-oxopropyl)pyran-2-one

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Basic information

CAS: 21179-76-0
Standard SMILES: COc1cc(CC(C)=O)oc(=O)c1
InChIKey: RKGZHABVWGHGFM-UHFFFAOYSA-N
Molecular formula: C9H10O4
Average molar mass: 182.17 g/mol
Monoisotopic mass: 182.0579088

Names & identifiers

Preferred name: 4-Methoxy-6-(2-oxopropyl)pyran-2-one
IUPAC: 4-methoxy-6-(2-oxopropyl)pyran-2-one
English name: 4-Methoxy-6-(2-oxopropyl)-2H-pyran-2-one
Molecular formula: C9H10O4
Molecular weight: 182.17

Names & synonyms

4-methoxy-6-(2-oxopropyl)pyran-2-one21179-76-0DTXSID10343132RefChem:293893DTXCID702942124-Methoxy-6-(2-oxopropyl)-2H-pyran-2-one2H-Pyran-2-one, 6-acetonyl-4-methoxy-RKGZHABVWGHGFM-UHFFFAOYSA-N2H-Pyran-2-one, 4-methoxy-6-(2-oxopropyl)-4-Methoxy-6-(2-oxopropyl)-2H-pyran-2-one #

Database identifiers

CAS: 21179-76-0
PubChem CID: 587664
DTXSID: DTXSID10343132
Nikkaji: J101.967H

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 299

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Compound notes

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