Basic information
- CAS
87627-04-1- Standard SMILES
Cc1ccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)cc1- InChIKey
MHSHHTISTHKEHD-UHFFFAOYSA-N- Molecular formula
- C18H14O4
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.08920892
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-8-acetic acid, 2-(4-methylphenyl)-4-oxo-
- IUPAC
- 2-[2-(4-methylphenyl)-4-oxochromen-8-yl]acetic acid
Names & synonyms
87627-04-14H-1-Benzopyran-8-acetic acid, 2-(4-methylphenyl)-4-oxo-NSC354633DTXSID00320078NSC-354633[2-(4-Methylphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid
Database identifiers
- CAS
87627-04-1- PubChem CID
- 337271
- DTXSID
DTXSID00320078
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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