3-Chlorocinnamic acid

CAS	1866-38-2 / 14473-90-6
Structure
Synonyms	Trans-3-(3-chlorophenyl)propenoic acid
IUPAC Name	(E)-3-(3-Chlorophenyl)prop-2-enoic acid
Molecular Weight	182.6
Canonical SMILES	C1=CC(=CC(=C1)Cl)C=CC(=O)O
InChI	InChI=1S/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChI Key	FFKGOJWPSXRALK-SNAWJCMRSA-N
Boiling Point	326.2±25.0 °C
Melting Point	161-164 °C
Purity	95%+
Density	1.332±0.06 g/cm³
Exact Mass	182.0134572
Isomeric SMILES	C1=CC(=CC(=C1)Cl)/C=C/C(=O)O
Monoisotopic Mass	182.0134572
Physical State	Crystalline
Refractive Index	n20/D 1.5426(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	37.3 Ų