Basic information
- CAS
215226-71-4- Standard SMILES
C/C(C=O)=C(/Cl)C(=O)O- InChIKey
WFOGRPHQBIGTCH-ARJAWSKDSA-N- Molecular formula
- C5H5ClO3
- Average molar mass
- 148.54 g/mol
- Monoisotopic mass
- 147.9927217
Names & identifiers
- Preferred name
- (Z)-2-Chloro-3-methyl-4-oxobutenoic acid
- IUPAC
- (Z)-2-chloro-3-methyl-4-oxobut-2-enoic acid
Names & synonyms
(Z)-2-Chloro-3-methyl-4-oxobutenoic acid(2E)-2-Chloro-3-methyl-4-oxo-2-butenoic acid215226-71-42-Butenoic acid, 2-chloro-3-methyl-4-oxo-, (2Z)-CCRIS 8232CHEMBL450290DTXSID801030747
Database identifiers
- CAS
215226-71-4- PubChem CID
- 3036732
- DTXSID
DTXSID801030747- ChEMBL
CHEMBL450290- Nikkaji
- J1.342.863H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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