97552-55-1 Purity
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Specification
The molecular formula of 4-Chlorohexa-2,4-dienoic acid is C6H7ClO2.
The molecular weight of 4-Chlorohexa-2,4-dienoic acid is 146.57 g/mol.
The IUPAC name of 4-Chlorohexa-2,4-dienoic acid is (2E,4Z)-4-chlorohexa-2,4-dienoic acid.
The InChI of 4-Chlorohexa-2,4-dienoic acid is InChI=1S/C6H7ClO2/c1-2-5(7)3-4-6(8)9/h2-4H,1H3,(H,8,9)/b4-3+,5-2-.
The InChIKey of 4-Chlorohexa-2,4-dienoic acid is FBHZRIIRIRXHEM-QSDRKMMISA-N.
The canonical SMILES of 4-Chlorohexa-2,4-dienoic acid is CC=C(C=CC(=O)O)Cl.
The isomeric SMILES of 4-Chlorohexa-2,4-dienoic acid is C/C=C(/C=C/C(=O)O)\Cl.
The CAS number of 4-Chlorohexa-2,4-dienoic acid is 97552-61-9.
Yes, 4-Chlorohexa-2,4-dienoic acid is a canonicalized compound.