Benzoic acid, 5-methyl-2-nitro-, methyl ester

CAS Registry Number®

20587-30-8

CAS Name

Benzoic acid, 5-methyl-2-nitro-, methyl ester

Molecular Formula

C9H9NO4

Molecular Mass

195.17

Cite this Page

Benzoic acid, 5-methyl-2-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20587-30-8 (retrieved 2024-11-22) (CAS RN: 20587-30-8).  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/c1-6-3-4-8(10(12)13)7(5-6)9(11)14-2/h3-5H,1-2H3

InChIKey

InChIKey=KFOICDVZQKFCGM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 5-methyl-2-nitro-, methyl ester
  • m-Toluic acid, 6-nitro-, methyl ester
  • Methyl 6-nitro-m-toluate
  • Methyl 5-methyl-2-nitrobenzoate
  • 5-Methyl-2-nitrobenzoic acid methyl ester

CAS INSIGHTSTM
Targeted protein degrader structure, illustration