3,4-Methylenedioxycinnamic acid

CAS	2373-80-0
Structure
Synonyms	3-(3,4-Methylenedioxyphenyl)propenoic acid
IUPAC Name	(E)-3-(1,3-Benzodioxol-5-yl)prop-2-enoic acid
Molecular Weight	192.17
Canonical SMILES	C1OC2=C(O1)C=C(C=C2)C=CC(=O)O
InChI	InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+
InChI Key	QFQYZMGOKIROEC-DUXPYHPUSA-N
Boiling Point	248.14 °C
Melting Point	242-244 °C
Purity	95%+
Density	1.0825 g/cm³ at 25 °C(lit.)
Exact Mass	192.04225873
Isomeric SMILES	C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)O
Monoisotopic Mass	192.04225873
Physical State	Powder
Refractive Index	n20/D 1.444(lit.)
Storage Conditions	Inert atmosphere,Room Temperature
Topological Polar Surface Area	55.8 Ų