4,5-Dimethoxy-2-nitrocinnamic acid

Catalog	ACM20567388
CAS	20567-38-8
Structure
Synonyms	2-Nitro-4,5-dimethoxy-trans-cinnamic acid
IUPAC Name	(E)-3-(4,5-Dimethoxy-2-nitrophenyl)prop-2-enoic acid
Molecular Weight	253.21
Molecular Formula	C11H11NO6
Canonical SMILES	COC1=C(C=C(C(=C1)C=CC(=O)O)[N+](=O)[O-])OC
InChI	InChI=1S/C11H11NO6/c1-17-9-5-7(3-4-11(13)14)8(12(15)16)6-10(9)18-2/h3-6H,1-2H3,(H,13,14)/b4-3+
InChI Key	BZIRMMAJZSOLEW-ONEGZZNKSA-N
Boiling Point	483 °C
Melting Point	293 °C
Flash Point	246 °C
Purity	95%+
Density	1.369 g/mL at 25 °C(lit.)
Exact Mass	253.05863707
Isomeric SMILES	COC1=C(C=C(C(=C1)/C=C/C(=O)O)[N+](=O)[O-])OC
Monoisotopic Mass	253.05863707
Refractive Index	n20/D 1.53(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	102 Ų