2,4-Hexadienoic acid, 6-chloro-4-methyl-
Basic information
- CAS
104199-13-5- Standard SMILES
CC(/C=C/C(=O)O)=C\CCl- InChIKey
VMASEVHVNPIKTQ-WJPDYIDTSA-N- Molecular formula
- C7H9ClO2
- Average molar mass
- 160.6 g/mol
- Monoisotopic mass
- 160.0291072
Names & identifiers
- Preferred name
- 2,4-Hexadienoic acid, 6-chloro-4-methyl-
- IUPAC
- (2E,4E)-6-chloro-4-methylhexa-2,4-dienoic acid
Names & synonyms
104199-13-52,4-Hexadienoic acid, 6-chloro-4-methyl-
Database identifiers
- CAS
104199-13-5- PubChem CID
- 6443501
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 170
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Compound notes
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