5-Methylcoumarin

HCID 39172

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Basic information

CAS: 42286-84-0
Standard SMILES: Cc1cccc2oc(=O)ccc12
InChIKey: FXMGSXNQELBPMX-UHFFFAOYSA-N
Molecular formula: C10H8O2
Average molar mass: 160.17 g/mol
Monoisotopic mass: 160.05242949

Overview

5-methylcoumarin has been reported in Chaptalia nutans and Nassauvia pyramidalis with data available.

Names & identifiers

Preferred name: 5-Methylcoumarin
IUPAC: 5-methylchromen-2-one

Names & synonyms

5-Methylcoumarin5-methylchromen-2-one5-Methyl-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 5-methyl-COUMARIN, 5-METHYL-BRN 0121650UNII-L84SSL862IL84SSL862IDTXSID701951195-17-10-00167 (Beilstein Handbook Reference)RefChem:103179DTXCID30117610

Show more names

2H-1-Benzopyran-2-one, 5-methyl-(9CI)42286-84-05-Methyl-2H-chromen-2-one2H-1-Benzopyran-2-one, 5-methyl- (9CI)SCHEMBL546445SCHEMBL5205733SCHEMBL9013499SCHEMBL17748250

Database identifiers

CAS: 42286-84-0
PubChem CID: 39172
DTXSID: DTXSID70195119
UNII: L84SSL862I
Nikkaji: J285.712J

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 220

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Compound notes

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