Basic information
- Standard SMILES
CC=C(C(=O)CCl)C(=O)OCC- InChIKey
YNVFMAPZDZMCTN-UHFFFAOYSA-N- Molecular formula
- C8H11ClO3
- Average molar mass
- 190.62 g/mol
- Monoisotopic mass
- 190.0396719
Names & identifiers
- Preferred name
- Ethyl 2-ethylidene-4-chloro-3-oxobutyrate
- IUPAC
- ethyl 2-(2-chloroacetyl)but-2-enoate
Names & synonyms
SCHEMBL10689237YNVFMAPZDZMCTN-UHFFFAOYSA-Nethyl 2-ethylidene-4-chloro-3-oxobutyrate2-Ethylidene-3-oxo-4-chlorobutyric acid ethyl ester
Database identifiers
- PubChem CID
- 54518096
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Related reactions
6 records
Compound notes
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