Basic information
- CAS
33191-93-4- Standard SMILES
CC(=O)C=CCCCc1ccccc1- InChIKey
MVTGTJYBYWVRPR-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 7-Phenyl-3-hepten-2-one
- IUPAC
- 7-phenylhept-3-en-2-one
- English name
- 7-Phenyl-3-hepten-2-one
- Molecular formula
- C13H16O
- Molecular weight
- 188.27
Names & synonyms
7-Phenyl-3-hepten-2-one33191-93-47-phenylhept-3-en-2-oneDTXSID10340040DB-264138
Database identifiers
- CAS
33191-93-4- PubChem CID
- 561024
- DTXSID
DTXSID10340040
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 314.478 · 314.478±21.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.963 · 0.963±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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