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Chemical structure of 4-chloro-α-Cyanocinnamic Acid

GC42363

4-chloro-α-Cyanocinnamic Acid

Also known as (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoic acid

4-chloro-α-cyanocinnamic acid (Cl-CCA) is a phenylpropanoid, related to cinnamic acid, which is synthesized by plants from phenylalanine

ChemicalCAS20374-46-3MW207.6FormulaC10H6ClNO2
CAS number
20374-46-3
Molecular weight
207.6
Formula
C10H6ClNO2
Solubility
DMF： 14 mg/ml,DMF：PBS (pH 7·2) (1：9)： 0·1 mg/ml,DMSO： 14 mg/ml
InChIKey
MXCRRKYUQNHWLJ-VMPITWQZSA-N
Catalogue number
GC42363
Brand
GLPBIO
Computed properties PubChem CID 2363776 · XLogP 2.4 · TPSA 61.1 Ų · H-bond donors 1
XLogP
2.4
TPSA
61.1 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

SMILES C1=CC(=CC=C1/C=C(\C#N)/C(=O)O)Cl

Computed descriptors from PubChem (CID 2363776), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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