1H-1,2,4-Triazole-3-acetic acid, 5-nitro-, hydrate (1:1)

CAS Registry Number®

1609409-43-9
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CAS Name

1H-1,2,4-Triazole-3-acetic acid, 5-nitro-, hydrate (1:1)

Molecular Formula

C4H4N4O4.H2O

Cite this Page

1H-1,2,4-Triazole-3-acetic acid, 5-nitro-, hydrate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1609409-43-9 (retrieved 2024-07-02) (CAS RN: 1609409-43-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C4H4N4O4.H2O/c9-3(10)1-2-5-4(7-6-2)8(11)12;/h1H2,(H,9,10)(H,5,6,7);1H2

InChIKey

InChIKey=XEHDCTOOYJXOMV-UHFFFAOYSA-N

SMILES

C(C(O)=O)C=1NC(N(=O)=O)=NN1.O

Canonical SMILES

O=C(O)CC1=NN=C(N1)N(=O)=O.O

Other Names for this Substance

  • 1H-1,2,4-Triazole-3-acetic acid, 5-nitro-, hydrate (1:1)