Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)

CAS Registry Number®

205680-84-8

CAS Name

Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)

Molecular Formula

C10H7NO6.H2O

Cite this Page

Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=205680-84-8 (retrieved 2024-11-23) (CAS RN: 205680-84-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H7NO6.H2O/c12-4-7(5-13)8-3-6(10(14)15)1-2-9(8)11(16)17;/h1-5,7H,(H,14,15);1H2

InChIKey

InChIKey=SWNCDLAMOWGSKH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)
  • Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, monohydrate

CAS INSIGHTSTM
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