4H-1-Benzopyran-8-acetic acid, 2-(3-methoxyphenyl)-4-oxo-
Basic information
- CAS
87626-92-4- Standard SMILES
COc1cccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)c1- InChIKey
JLVOTNGFEWYPGF-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-(3-methoxyphenyl)-4-oxo-
- IUPAC
- 2-[2-(3-methoxyphenyl)-4-oxochromen-8-yl]acetic acid
Names & synonyms
87626-92-4NSC361581DTXSID803205714H-1-Benzopyran-8-acetic acid, 2-(3-methoxyphenyl)-4-oxo-NSC-361581[2-(3-Methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid
Database identifiers
- CAS
87626-92-4- PubChem CID
- 338520
- DTXSID
DTXSID80320571- Nikkaji
- J767.291H
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
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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