3,4-Dimethyl-2-nitrobenzoic acid

CAS Registry Number®

4315-13-3

CAS Name

3,4-Dimethyl-2-nitrobenzoic acid

Molecular Formula

C9H9NO4

Molecular Mass

195.17

Cite this Page

3,4-Dimethyl-2-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4315-13-3 (retrieved 2024-11-24) (CAS RN: 4315-13-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    201-203 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H9NO4/c1-5-3-4-7(9(11)12)8(6(5)2)10(13)14/h3-4H,1-2H3,(H,11,12)

InChIKey

InChIKey=RDUGYWJPQZJVFA-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C(O)=O)C=CC(C)=C1C

Canonical SMILES

O=C(O)C1=CC=C(C(=C1N(=O)=O)C)C

Other Names for this Substance

  • Benzoic acid, 3,4-dimethyl-2-nitro-
  • 3,4-Dimethyl-2-nitrobenzoic acid

CAS INSIGHTSTM
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