Ethyl 4-nitrocinnamate

Catalog	ACM953264
CAS	953-26-4
Structure
Synonyms	2-[(4-Nitrophenyl)methylidene]butanoate
IUPAC Name	Ethyl (E)-3-(4-nitrophenyl)prop-2-enoate
Molecular Weight	221.21
Molecular Formula	C11H11NO4
Canonical SMILES	CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]
InChI	InChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+
InChI Key	PFBQVGXIMLXCQB-VMPITWQZSA-N
Boiling Point	362.26 °C
Melting Point	138-140 °C
Flash Point	141ºC
Purity	95%+
Density	0.87 g/cm³ at 20 °C(lit.)
Appearance	Yellow powder.
Exact Mass	221.06880783
Isomeric SMILES	CCOC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-]
Monoisotopic Mass	221.06880783
Physical State	Crystalline powder
Refractive Index	n20/D 1.520(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	72.1 Ų