Benzoic acid, 3-methyl-4-nitro-, methyl ester

CAS Registry Number®

24078-21-5

CAS Name

Benzoic acid, 3-methyl-4-nitro-, methyl ester

Molecular Formula

C9H9NO4

Molecular Mass

195.17

Cite this Page

Benzoic acid, 3-methyl-4-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24078-21-5 (retrieved 2024-11-22) (CAS RN: 24078-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    78-79 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=IEFONJKJLZFGKQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-methyl-4-nitro-, methyl ester
  • m-Toluic acid, 4-nitro-, methyl ester
  • Methyl 3-methyl-4-nitrobenzoate
  • NSC 92763
  • 3-Methyl-4-nitrobenzoic acid methyl ester

CAS INSIGHTSTM
Targeted protein degrader structure, illustration