4H-1-Benzopyran-8-acetic acid, 2-(4-methoxyphenyl)-4-oxo-
Basic information
- CAS
87627-10-9- Standard SMILES
COc1ccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)cc1- InChIKey
BSMWETPLQKJEMF-UHFFFAOYSA-N- Molecular formula
- C18H14O5
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.08412354
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-8-acetic acid, 2-(4-methoxyphenyl)-4-oxo-
- IUPAC
- 2-[2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetic acid
Names & synonyms
MLS00317113087627-10-94H-1-Benzopyran-8-acetic acid, 2-(4-methoxyphenyl)-4-oxo-NSC354634SCHEMBL12835290DTXSID60320079NSC-354634SMR001875038[2-(4-Methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid
Database identifiers
- CAS
87627-10-9- PubChem CID
- 337272
- DTXSID
DTXSID60320079
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 490
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Compound notes
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