3-(6-Nitrobenzo[d][1,3]dioxol-5-yl)acrylic acid

CAS	6315-90-8
Structure
Synonyms	4,5-Methylenedioxy-2-nitrocinnamic acid
IUPAC Name	(E)-3-(6-Nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid
Molecular Weight	237.17
Canonical SMILES	C1OC2=C(O1)C=C(C(=C2)C=CC(=O)O)[N+](=O)[O-]
InChI	InChI=1S/C10H7NO6/c12-10(13)2-1-6-3-8-9(17-5-16-8)4-7(6)11(14)15/h1-4H,5H2,(H,12,13)/b2-1+
InChI Key	GJAIAEVUUHUHTE-OWOJBTEDSA-N
Boiling Point	452 °C
Melting Point	280 °C
Flash Point	227 °C
Purity	95%+
Density	1.601 g/mL at 25 °C(lit.)
Exact Mass	237.02733694
Isomeric SMILES	C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)O)[N+](=O)[O-]
Monoisotopic Mass	237.02733694
Storage Conditions	2-8 °C
Topological Polar Surface Area	102 Ų