3-Chloro-but-2-enoic acid ethyl ester

HCID 282835
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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 properties

XLogP
1.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
9

Related reactions

43 records
New reaction record

Linked notes

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