Piperonylic Acid

Catalog	ACM94531
CAS	94-53-1
Structure
Synonyms	3,4-(Methylenedioxy)benzoic acid, piperonylic acid
IUPAC Name	1,3-Benzodioxole-5-carboxylic acid
Molecular Weight	166.13
Molecular Formula	C8H6O4
Canonical SMILES	C1OC2=C(O1)C=C(C=C2)C(=O)O
InChI	InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
InChI Key	VDVJGIYXDVPQLP-UHFFFAOYSA-N
Boiling Point	254.32 °C
Melting Point	229-231 °C
Purity	98%+
Density	1.3579 g/mL at 25 °C(lit.)
Solubility	Slightly soluble
Exact Mass	166.02660867
Monoisotopic Mass	166.02660867
Physical State	Powder
Refractive Index	n20/D 1.5090(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	55.8 Ų