2-(4-Chloro-benzylidene)-3-methyl-succinic acid

HCID 67304200
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Basic information

Standard SMILES
CC(C(=O)O)C(=Cc1ccc(Cl)cc1)C(=O)O
InChIKey
VRVVZAIUFDSWQU-UHFFFAOYSA-N
Molecular formula
C12H11ClO4
Average molar mass
254.66 g/mol

Names & identifiers

Preferred name
2-(4-Chloro-benzylidene)-3-methyl-succinic acid
IUPAC
2-[(4-chlorophenyl)methylidene]-3-methylbutanedioic acid

Names & synonyms

SCHEMBL2172621VRVVZAIUFDSWQU-UHFFFAOYSA-N2-(4-chloro-benzylidene)-3-methyl-succinic acid

Database identifiers

PubChem CID
67304200

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Related reactions

4 records
New reaction record

Linked notes

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