94061-64-0 Purity
96%
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Specification
The molecular formula of trans-4-Chlorocinnamic acid is C9H7ClO2.
The molecular weight of trans-4-Chlorocinnamic acid is 182.60 g/mol.
The IUPAC name of trans-4-Chlorocinnamic acid is (E)-3-(4-chlorophenyl)prop-2-enoic acid.
The InChI of trans-4-Chlorocinnamic acid is InChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+.
The InChIKey of trans-4-Chlorocinnamic acid is GXLIFJYFGMHYDY-ZZXKWVIFSA-N.
The canonical SMILES of trans-4-Chlorocinnamic acid is C1=CC(=CC=C1C=CC(=O)O)Cl.
trans-4-Chlorocinnamic acid has one hydrogen bond donor count.
trans-4-Chlorocinnamic acid has two hydrogen bond acceptor counts.
trans-4-Chlorocinnamic acid has two rotatable bond counts.
The topological polar surface area of trans-4-Chlorocinnamic acid is 37.3 ?2.