Basic information
- Standard SMILES
O=CC(Cl)=C(Cl)C(=O)O- InChIKey
LUMLZKVIXLWTCI-UHFFFAOYSA-N- Molecular formula
- C4H2Cl2O3
- Average molar mass
- 168.96 g/mol
- Monoisotopic mass
- 167.93809928
Names & identifiers
- Preferred name
- 2,3-Dichloro-4-oxo-but-2-enoic acid
- IUPAC
- 2,3-dichloro-4-oxobut-2-enoic acid
Names & synonyms
57697-64-02,3-dichloro-4-oxo-but-2-enoic acid(2E)-2,3-DICHLORO-4-OXOBUT-2-ENOIC ACIDSCHEMBL202878SCHEMBL6806871DTXSID30859144AKOS030650489DS-007851NS00009003
Database identifiers
- PubChem CID
- 66601
- DTXSID
DTXSID30859144
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 173
Related reactions
3 records
Compound notes
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