3-Cyanocinnamic acid

Catalog	ACM16642936
CAS	16642-93-6
Structure
Synonyms	3-(3-Cyanophenyl)acrylic acid
IUPAC Name	(E)-3-(3-Cyanophenyl)prop-2-enoic acid
Molecular Weight	173.17
Molecular Formula	C10H7NO2
Canonical SMILES	C1=CC(=CC(=C1)C#N)C=CC(=O)O
InChI	InChI=1S/C10H7NO2/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-6H,(H,12,13)/b5-4+
InChI Key	WEYFZKRRQZYAJI-SNAWJCMRSA-N
Boiling Point	357.9±25.0 °C
Purity	95%+
Density	1.26±0.1 g/cm³
Exact Mass	173.047678466
Isomeric SMILES	C1=CC(=CC(=C1)C#N)/C=C/C(=O)O
Monoisotopic Mass	173.047678466
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	61.1 Ų