3-(1,3-Benzodioxol-5-yl)-5-nitrobenzoic acid

CAS Registry Number®

1261894-05-6

CAS Name

3-(1,3-Benzodioxol-5-yl)-5-nitrobenzoic acid

Molecular Formula

C14H9NO6

Molecular Mass

287.22

Cite this Page

3-(1,3-Benzodioxol-5-yl)-5-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1261894-05-6 (retrieved 2024-11-24) (CAS RN: 1261894-05-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H9NO6/c16-14(17)10-3-9(4-11(5-10)15(18)19)8-1-2-12-13(6-8)21-7-20-12/h1-6H,7H2,(H,16,17)

InChIKey

InChIKey=UXOUCOQRLOAZHY-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=C(C=C(N(=O)=O)C1)C=2C=C3C(=CC2)OCO3

Canonical SMILES

O=C(O)C=1C=C(C=C(C1)N(=O)=O)C=2C=CC=3OCOC3C2

Other Names for this Substance

  • Benzoic acid, 3-(1,3-benzodioxol-5-yl)-5-nitro-
  • 3-(1,3-Benzodioxol-5-yl)-5-nitrobenzoic acid

CAS INSIGHTSTM
Hourglass and a clock