3-Chlorocinnamaldehyde

Catalog	ACM56578371
CAS	56578-37-1
Structure
Synonyms	(2E)-3-(3-Chlorophenyl)acrylaldehyde
IUPAC Name	(E)-3-(3-Chlorophenyl)prop-2-enal
Molecular Weight	166.6
Molecular Formula	C9H7ClO
Canonical SMILES	C1=CC(=CC(=C1)Cl)C=CC=O
InChI	InChI=1S/C9H7ClO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+
InChI Key	GTQLBYROWRZDHS-DUXPYHPUSA-N
Boiling Point	106-120 °C
Melting Point	39 °C
Purity	95%+
Density	1.192±0.06 g/cm³
Exact Mass	166.0185425
Isomeric SMILES	C1=CC(=CC(=C1)Cl)/C=C/C=O
Monoisotopic Mass	166.0185425
Physical State	Liquid
Storage Conditions	Inert atmosphere,under -20 °C
Topological Polar Surface Area	17.1 Ų