2-Chlorohexa-2,4-dienoic acid
Basic information
- CAS
114607-25-9- Standard SMILES
CC=CC=C(Cl)C(=O)O- InChIKey
ZINGPVGWKVTAAC-UHFFFAOYSA-N- Molecular formula
- C6H7ClO2
- Average molar mass
- 146.57 g/mol
- Monoisotopic mass
- 146.0134572
Names & identifiers
- Preferred name
- 2-Chlorohexa-2,4-dienoic acid
- IUPAC
- 2-chlorohexa-2,4-dienoic acid
Names & synonyms
114607-25-92-Chlorohexa-2,4-dienoic acidSCHEMBL167555DTXSID60712137
Database identifiers
- CAS
114607-25-9- PubChem CID
- 54548904
- DTXSID
DTXSID60712137
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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