Basic information
- CAS
50552-30-2- Standard SMILES
C=CC(CC(C)=O)c1ccccc1- InChIKey
FVXSOKFSQCKZDF-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 4-Phenylhex-5-en-2-one
- IUPAC
- 4-phenylhex-5-en-2-one
Names & synonyms
4-phenylhex-5-en-2-one50552-30-2NSC408288SCHEMBL8733336FVXSOKFSQCKZDF-UHFFFAOYSA-DTXSID10325034NSC-408288DS-005496InChI=1/C12H14O/c1-3-11(9-10(2)13)12-7-5-4-6-8-12/h3-8,11H,1,9H2,2H3
Database identifiers
- CAS
50552-30-2- PubChem CID
- 348808
- DTXSID
DTXSID10325034- Nikkaji
- J1.309.859J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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