2-Chlorocinnamic acid

Catalog	ACM3752258
CAS	3752-25-8
Synonyms	3-(2-Chlorophenyl)prop-2-enoic acid
IUPAC Name	(E)-3-(2-Chlorophenyl)prop-2-enoic acid
Molecular Weight	182.6
Molecular Formula	C9H7ClO2
Canonical SMILES	C1=CC=C(C(=C1)C=CC(=O)O)Cl
InChI	InChI=1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
InChI Key	KJRRTHHNKJBVBO-AATRIKPKSA-N
Boiling Point	260.71 °C
Melting Point	208-210 °C
Purity	98%+
Density	1.2377 g/mL at 25 °C(lit.)
Exact Mass	182.0134572
Isomeric SMILES	C1=CC=C(C(=C1)/C=C/C(=O)O)Cl
Monoisotopic Mass	182.0134572
Physical State	Crystalline
Refractive Index	n20/D 1.5426(lit.)
Storage Conditions	Room Temperature
Topological Polar Surface Area	37.3 Ų