2-[(2Z)-3-Chloro-2-butenyl]-2-methylmalonic Acid Diethyl Ester

HCID 13216482
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Basic information

Standard SMILES
CCOC(=O)C(C)(C/C=C(/C)Cl)C(=O)OCC
InChIKey
QQXGDKTYCIVKKA-CLFYSBASSA-N
Molecular formula
C12H19ClO4
Average molar mass
262.73 g/mol

Names & identifiers

Preferred name
2-[(2Z)-3-Chloro-2-butenyl]-2-methylmalonic Acid Diethyl Ester
IUPAC
diethyl 2-[(Z)-3-chlorobut-2-enyl]-2-methylpropanedioate

Names & synonyms

SCHEMBL10836337QQXGDKTYCIVKKA-CLFYSBASSA-N2-[(2Z)-3-Chloro-2-butenyl]-2-methylmalonic Acid Diethyl Ester

Database identifiers

PubChem CID
13216482

Properties

Computed structural properties

XLogP
3
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
17

Related reactions

2 records
New reaction record

Linked notes

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