3-Chloro-but-2-enoic acid ethyl ester
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Basic information
- Standard SMILES
CCOC(=O)C=C(C)Cl- InChIKey
NCVQPBQMFVGACR-UHFFFAOYSA-N- Molecular formula
- C6H9ClO2
- Average molar mass
- 148.59 g/mol
- Monoisotopic mass
- 148.0291072
Names & identifiers
- Preferred name
- 3-Chloro-but-2-enoic acid ethyl ester
- IUPAC
- ethyl 3-chlorobut-2-enoate
Names & synonyms
ethyl 3-chloro-2-butenoateSCHEMBL1068143NCVQPBQMFVGACR-UHFFFAOYSA-N3-chloro-but-2-enoic acid ethyl ester
Database identifiers
- PubChem CID
- 282835
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
Related reactions
43 records
Compound notes
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