4-Cyanocinnamic acid

CAS	18664-39-6
Structure
Synonyms	3-(4-Cyanophenyl)propenoic acid
IUPAC Name	(E)-3-(4-Cyanophenyl)prop-2-enoic acid
Molecular Weight	173.17
Canonical SMILES	C1=CC(=CC=C1C=CC(=O)O)C#N
InChI	InChI=1S/C10H7NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-6H,(H,12,13)/b6-5+
InChI Key	USVZQKYCNGNRBV-AATRIKPKSA-N
Boiling Point	380.4±25.0 °C
Melting Point	245-248 °C
Purity	95%+
Density	1.26±0.1 g/cm³
Exact Mass	173.047678466
Isomeric SMILES	C1=CC(=CC=C1/C=C/C(=O)O)C#N
Monoisotopic Mass	173.047678466
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	61.1 Ų