Basic information
- CAS
87627-20-1- Standard SMILES
O=C(O)Cc1cccc2c(=O)c(-c3ccccc3)c(-c3ccccc3)oc12- InChIKey
BWJOQFQALICWAJ-UHFFFAOYSA-N- Molecular formula
- C23H16O4
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.10485899
Names & identifiers
- Preferred name
- (4-Oxo-2,3-diphenyl-4H-1-benzopyran-8-yl)acetic acid
- IUPAC
- 2-(4-oxo-2,3-diphenylchromen-8-yl)acetic acid
Names & synonyms
87627-20-1NSC362084(4-Oxo-2,3-diphenyl-4H-1-benzopyran-8-yl)acetic acidDTXSID70320621NSC-362084
Database identifiers
- CAS
87627-20-1- PubChem CID
- 338685
- DTXSID
DTXSID70320621
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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