1-Penten-3-one, 1-(4-chlorophenyl)-
Basic information
- CAS
54951-47-2- Standard SMILES
CCC(=O)/C=C/c1ccc(Cl)cc1- InChIKey
UJJNGTBRZSXFRI-VMPITWQZSA-N- Molecular formula
- C11H11ClO
- Average molar mass
- 194.66 g/mol
- Monoisotopic mass
- 194.0498427
Names & identifiers
- Preferred name
- 1-Penten-3-one, 1-(4-chlorophenyl)-
- IUPAC
- (E)-1-(4-chlorophenyl)pent-1-en-3-one
Names & synonyms
1-Penten-3-one, 1-(4-chlorophenyl)-NSC15277354951-47-2UJJNGTBRZSXFRI-VMPITWQZSA-NNSC-152773(1E)-1-(4-Chlorophenyl)-1-penten-3-one #
Database identifiers
- CAS
54951-47-2- PubChem CID
- 5374012
- Nikkaji
- J104.020K、J3.164.125J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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