99848-78-9 Purity
96%
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The molecular formula of 2-Chloro-3,4-dimethoxycinnamic acid is C11H11ClO4.
The molecular weight of 2-Chloro-3,4-dimethoxycinnamic acid is 242.65 g/mol.
The CAS number of 2-Chloro-3,4-dimethoxycinnamic acid is 99854-17-8.
The IUPAC name of 2-Chloro-3,4-dimethoxycinnamic acid is (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoic acid.
The InChI of 2-Chloro-3,4-dimethoxycinnamic acid is InChI=1S/C11H11ClO4/c1-15-8-5-3-7(4-6-9(13)14)10(12)11(8)16-2/h3-6H,1-2H3,(H,13,14)/b6-4+.
The InChIKey of 2-Chloro-3,4-dimethoxycinnamic acid is JIPTVEJKXDVECY-GQCTYLIASA-N.
The canonical SMILES of 2-Chloro-3,4-dimethoxycinnamic acid is COC1=C(C(=C(C=C1)C=CC(=O)O)Cl)OC.
The XLogP3-AA value of 2-Chloro-3,4-dimethoxycinnamic acid is 2.4.
The hydrogen bond donor count of 2-Chloro-3,4-dimethoxycinnamic acid is 1.
The hydrogen bond acceptor count of 2-Chloro-3,4-dimethoxycinnamic acid is 4.