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

CAS Registry Number®

7356-11-8
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CAS Name

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

Molecular Formula

C9H9NO4

Molecular Mass

195.17

Cite this Page

Benzoic acid, 4-methyl-3-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7356-11-8 (retrieved 2024-08-18) (CAS RN: 7356-11-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    71 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=YFPBHPCMYFCRKS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-methyl-3-nitro-, methyl ester
  • p-Toluic acid, 3-nitro-, methyl ester
  • Methyl 3-nitro-4-methylbenzoate
  • Methyl 4-methyl-3-nitrobenzoate
  • NSC 29086

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