Basic information
- CAS
917909-69-4- Standard SMILES
O=C(O)C=Cc1cccc(C(=O)c2ccccc2)c1- InChIKey
MYASBRUZJIHXDC-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Names & identifiers
- Preferred name
- 3-(3-Benzoylphenyl)prop-2-enoic acid
- IUPAC
- 3-(3-benzoylphenyl)prop-2-enoic acid
Names & synonyms
3-(3-Benzoylphenyl)prop-2-enoic acid917909-69-43-benzoylcinnamic acidSCHEMBL3107546DTXSID90738486MYASBRUZJIHXDC-UHFFFAOYSA-N
Database identifiers
- CAS
917909-69-4- PubChem CID
- 68514524
- DTXSID
DTXSID90738486
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Related reactions
2 records
Compound notes
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