3-(4-Oxo-2-phenyl-4H-1-benzopyran-8-yl)propanoic acid
Basic information
- CAS
87627-00-7- Standard SMILES
O=C(O)CCc1cccc2c(=O)cc(-c3ccccc3)oc12- InChIKey
DIQXEYRKGHPEME-UHFFFAOYSA-N- Molecular formula
- C18H14O4
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.08920892
Names & identifiers
- Preferred name
- 3-(4-Oxo-2-phenyl-4H-1-benzopyran-8-yl)propanoic acid
- IUPAC
- 3-(4-oxo-2-phenylchromen-8-yl)propanoic acid
Names & synonyms
87627-00-7NSC358315SCHEMBL15163483-(4-Oxo-2-phenyl-4H-1-benzopyran-8-yl)propanoic acidDTXSID00320356NSC-358315
Database identifiers
- CAS
87627-00-7- PubChem CID
- 337982
- DTXSID
DTXSID00320356
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 462
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Compound notes
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