Methyl 2-(4-chlorophenyl)pent-4-enoate
Basic information
- CAS
67031-09-8- Standard SMILES
C=CCC(C(=O)OC)c1ccc(Cl)cc1- InChIKey
ZGKILKOCBCCCPD-UHFFFAOYSA-N- Molecular formula
- C12H13ClO2
- Average molar mass
- 224.68 g/mol
- Monoisotopic mass
- 224.0604073
Names & identifiers
- Preferred name
- Methyl 2-(4-chlorophenyl)pent-4-enoate
- IUPAC
- methyl 2-(4-chlorophenyl)pent-4-enoate
Names & synonyms
NSC27232767031-09-8methyl 2-(4-chlorophenyl)pent-4-enoateDTXSID90313555NSC-272327
Database identifiers
- CAS
67031-09-8- PubChem CID
- 321444
- DTXSID
DTXSID90313555
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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