2-(3-Oxoprop-1-en-1-yl)phenyl benzoate
Basic information
- CAS
208118-56-3- Standard SMILES
O=C/C=C/c1ccccc1OC(=O)c1ccccc1- InChIKey
QRGLVSPIIXTSIE-UXBLZVDNSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Names & identifiers
- Preferred name
- 2-(3-Oxoprop-1-en-1-yl)phenyl benzoate
- IUPAC
- [2-[(E)-3-oxoprop-1-enyl]phenyl] benzoate
- English name
- 2-(3-Oxoprop-1-en-1-yl)phenyl benzoate
- Molecular formula
- C16H12O3
- Molecular weight
- 252.27
Names & synonyms
2-(3-Oxoprop-1-en-1-yl)phenyl benzoate208118-56-3199934-50-4(E)-2-(3-Oxoprop-1-en-1-yl)phenyl benzoate[2-[(E)-3-oxoprop-1-enyl]phenyl] Benzoate(E)-2-BenzoyloxycinnaMaldehyde2'-benzoyloxycinnamaldehyde2-benzoyloxycinnamaldehydeo-BenzoyloxycinnamaldehydeCHEMBL51379SCHEMBL1682770SCHEMBL41952354
Show more names
2-benzoylcinnamalfehyde2-Propenal, 3-[2-(benzoyloxy)phenyl]-
2-(3-Oxoprop-1-en-1-yl)phenylbenzoateG70186
Database identifiers
- CAS
208118-56-3- PubChem CID
- 10467367
- ChEMBL
CHEMBL51379- Nikkaji
- J1.014.318G、J1.363.284G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 471.1 · 471.1±28.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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