4-Nitromandelic acid

CAS Registry Number®

10098-39-2
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CAS Name

4-Nitromandelic acid

Molecular Formula

C8H7NO5

Molecular Mass

197.14

Cite this Page

4-Nitromandelic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10098-39-2 (retrieved 2024-08-15) (CAS RN: 10098-39-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    93-94 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4,7,10H,(H,11,12)

InChIKey

InChIKey=ZSMJZVLXJDNZHG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-4-nitro-
  • Mandelic acid, p-nitro-
  • α-Hydroxy-4-nitrobenzeneacetic acid
  • p-Nitromandelic acid
  • 4-Nitromandelic acid

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