[2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid
Basic information
- CAS
87626-98-0- Standard SMILES
COc1ccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)cc1OC- InChIKey
LNDUOIQFBOCAPW-UHFFFAOYSA-N- Molecular formula
- C19H16O6
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.09468823
Names & identifiers
- Preferred name
- [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid
- IUPAC
- 2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-8-yl]acetic acid
Names & synonyms
87626-98-0NSC358317DTXSID20320358[2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acidNSC-358317
Database identifiers
- CAS
87626-98-0- PubChem CID
- 337984
- DTXSID
DTXSID20320358- Nikkaji
- J767.292F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
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