3-Methyl-4-nitrobenzoic acid

CAS Registry Number®

3113-71-1

CAS Name

3-Methyl-4-nitrobenzoic acid

Molecular Formula

C8H7NO4

Molecular Mass

181.15

Cite this Page

3-Methyl-4-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3113-71-1 (retrieved 2024-11-26) (CAS RN: 3113-71-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    211 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)

InChIKey

InChIKey=XDTTUTIFWDAMIX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-methyl-4-nitro-
  • m-Toluic acid, 4-nitro-
  • 3-Methyl-4-nitrobenzoic acid
  • 4-Nitro-m-toluic acid
  • m-Methyl-p-nitrobenzoic acid

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