5-Methyl-2-nitrobenzoic acid

CAS Registry Number®

3113-72-2

CAS Name

5-Methyl-2-nitrobenzoic acid

Molecular Formula

C8H7NO4

Molecular Mass

181.15

Cite this Page

5-Methyl-2-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3113-72-2 (retrieved 2024-11-22) (CAS RN: 3113-72-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    219 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QRRSIFNWHCKMSW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 5-methyl-2-nitro-
  • m-Toluic acid, 6-nitro-
  • 5-Methyl-2-nitrobenzoic acid
  • 3-Methyl-6-nitrobenzoic acid
  • 2-Nitro-5-methylbenzoic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration