2H-1-Benzopyran-4-acetic acid, 6-methyl-2-oxo-
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Basic information
- Standard SMILES
Cc1ccc2oc(=O)cc(CC(=O)O)c2c1- InChIKey
DAOGIXQKZLJBBB-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-4-acetic acid, 6-methyl-2-oxo-
- IUPAC
- 2-(6-methyl-2-oxochromen-4-yl)acetic acid
Names & synonyms
NSC6429052H-1-Benzopyran-4-acetic acid, 6-methyl-2-oxo-6-methylcoumarin-4-acetic acidCHEMBL19755696-Methyl-coumarin-4-acetic acidNSC-642905NCI60_0144902-(6-methyl-2-oxo-chromen-4-yl)acetic acid
Database identifiers
- PubChem CID
- 370163
- ChEMBL
CHEMBL1975569- Nikkaji
- J2.638.367F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
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Compound notes
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