2-Nitrocinnamic acid

CAS	612-41-9
Structure
Synonyms	3-(2-Nitrophenyl)-2-propenoicacid
IUPAC Name	(E)-3-(2-Nitrophenyl)prop-2-enoic acid
Molecular Weight	193.16
Canonical SMILES	C1=CC=C(C(=C1)C=CC(=O)O)[N+](=O)[O-]
InChI	InChI=1S/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)/b6-5+
InChI Key	BBQDLDVSEDAYAA-AATRIKPKSA-N
Boiling Point	329.36 °C
Melting Point	243-245 °C
Purity	95%+
Density	1.4058 g/cm³
Exact Mass	193.0375077
Isomeric SMILES	C1=CC=C(C(=C1)/C=C/C(=O)O)[N+](=O)[O-]
Monoisotopic Mass	193.0375077
Physical State	Crystalline
Refractive Index	n20/D 1.520(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	83.1 Ų