3-Nitrocinnamic acid

CAS	555-68-0
Structure
Synonyms	3-(3-Nitrophenyl)-2-propenoicacid
IUPAC Name	(E)-3-(3-Nitrophenyl)prop-2-enoic acid
Molecular Weight	193.16
Canonical SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)O
InChI	InChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+
InChI Key	WWXMVRYHLZMQIG-SNAWJCMRSA-N
Boiling Point	329.36 °C
Melting Point	200-202 °C
Purity	95%+
Density	1.4058 g/cm³
Exact Mass	193.0375077
Isomeric SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)O
Monoisotopic Mass	193.0375077
Odor	Odorless
Physical State	Powder
Refractive Index	n20/D 1.520(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	83.1 Ų