4-Nitrohippuric acid

CAS Registry Number®

2645-07-0

CAS Name

4-Nitrohippuric acid

Molecular Formula

C9H8N2O5

Molecular Mass

224.17

Cite this Page

4-Nitrohippuric acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2645-07-0 (retrieved 2025-04-02) (CAS RN: 2645-07-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    137 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8N2O5/c12-8(13)5-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)

InChIKey

InChIKey=XCMUCRMMVDSVEL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Glycine, N-(4-nitrobenzoyl)-
  • Glycine, N-(p-nitrobenzoyl)-
  • Hippuric acid, p-nitro-
  • N-(4-Nitrobenzoyl)glycine
  • p-Nitrohippuric acid

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