Basic information
- CAS
110592-57-9- Standard SMILES
CCOC(=O)/C(Cl)=C/C(=O)O- InChIKey
KAWAKUUNSZSGEW-ARJAWSKDSA-N- Molecular formula
- C6H7ClO4
- Average molar mass
- 178.57 g/mol
- Monoisotopic mass
- 178.0032864
Names & identifiers
- Preferred name
- 2-Butenedioic acid, 2-chloro-, 1-ethyl ester
- IUPAC
- (Z)-3-chloro-4-ethoxy-4-oxobut-2-enoic acid
Names & synonyms
2-Butenedioic acid, 2-chloro-, 1-ethyl ester110592-57-9SCHEMBL4115115
Database identifiers
- CAS
110592-57-9- PubChem CID
- 6442902
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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