4-[4-(Benzyloxy)phenyl]-4-oxobut-2-enoic acid
Basic information
- CAS
122399-90-0- Standard SMILES
O=C(O)C=CC(=O)c1ccc(OCc2ccccc2)cc1- InChIKey
OFWVKGDOTHPDPH-UHFFFAOYSA-N- Molecular formula
- C17H14O4
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.08920892
Names & identifiers
- Preferred name
- 4-[4-(Benzyloxy)phenyl]-4-oxobut-2-enoic acid
- IUPAC
- 4-oxo-4-(4-phenylmethoxyphenyl)but-2-enoic acid
Names & synonyms
DTXSID2012317834-[4-(Benzyloxy)phenyl]-4-oxobut-2-enoic acid4-Oxo-4-[4-(phenylmethoxy)phenyl]-2-butenoic acid122399-90-0
Database identifiers
- CAS
122399-90-0- PubChem CID
- 85597197
- DTXSID
DTXSID201231783
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
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Compound notes
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