Basic information
- CAS
112856-55-0- Standard SMILES
COC(/C=C/c1ccc(Cl)cc1)=C/C(=O)O- InChIKey
SYLCICBSBUKHRX-VCABWLAWSA-N- Molecular formula
- C12H11ClO3
- Average molar mass
- 238.66 g/mol
- Monoisotopic mass
- 238.0396719
Names & identifiers
- Preferred name
- (2E,4E)-5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid
- IUPAC
- (2E,4E)-5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid
Database identifiers
- CAS
112856-55-0- PubChem CID
- 12337129
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…