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3-(2-Chloroethoxy)-2-ethylacrylic acid methyl ester

HCID 53798142
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(=COCCCl)C(=O)OC
InChIKey
FGMLTMONZUVUIW-UHFFFAOYSA-N
Molecular formula
C8H13ClO3
Average molar mass
192.64 g/mol

Names & identifiers

Preferred name
3-(2-Chloroethoxy)-2-ethylacrylic acid methyl ester
IUPAC
methyl 2-(2-chloroethoxymethylidene)butanoate

Names & synonyms

SCHEMBL11318253FGMLTMONZUVUIW-UHFFFAOYSA-N3-(2-Chloroethoxy)-2-ethyl-acrylic acid methyl ester3-(2-Chloroethoxy)-2-ethylacrylic acid methyl ester

Database identifiers

PubChem CID
53798142

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
12
Formal charge
0
Complexity
166

Related reactions

5 records
New reaction record
HRID 666025 reaction equation
HRID 666025As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1142278 reaction equation
HRID 1142278As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1277737 reaction equation
HRID 1277737As productuspto-grants-1981_07
HRID 1277738 reaction equation
HRID 1277738As reactantuspto-grants-1981_07
HRID 1277742 reaction equation
HRID 1277742As reactantuspto-grants-1981_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes