1,3-Benzodioxole-5-carboxylic acid
CAS Registry Number®
94-53-1
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CAS Name
1,3-Benzodioxole-5-carboxylic acidMolecular Formula
C8H6O4Molecular Mass
166.13Cite this Page
1,3-Benzodioxole-5-carboxylic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=94-53-1 (retrieved ) (CAS RN: 94-53-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
120 °C @ Press: 1 TorrMelting Point (2)
229 °C
Source(s)
- (1) Pailer, M.; Monatshefte fuer Chemie, (1947), 77, 45-51, CAplus
- (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
InChIKey
InChIKey=VDVJGIYXDVPQLP-UHFFFAOYSA-N
SMILES
C(O)(=O)C=1C=C2C(=CC1)OCO2
Canonical SMILES
O=C(O)C1=CC=C2OCOC2=C1
Other Names for this Substance
- 1,3-Benzodioxole-5-carboxylic acid
- Piperonylic acid
- Heliotropic acid
- 3,4-Methylenedioxybenzoic acid
- Protocatechuic acid methylene ether
Deleted or Replaced CAS Registry Numbers
1160950-49-1
