Benzoic acid, 3-(1H-1,2,4-triazol-5-yl)-, hydrate (1:1)

CAS Registry Number®

1609406-79-2
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CAS Name

Benzoic acid, 3-(1H-1,2,4-triazol-5-yl)-, hydrate (1:1)

Molecular Formula

C9H7N3O2.H2O

Cite this Page

Benzoic acid, 3-(1H-1,2,4-triazol-5-yl)-, hydrate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1609406-79-2 (retrieved 2024-09-01) (CAS RN: 1609406-79-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H7N3O2.H2O/c13-9(14)7-3-1-2-6(4-7)8-10-5-11-12-8;/h1-5H,(H,13,14)(H,10,11,12);1H2

InChIKey

InChIKey=PLJKZWDSXXOVQQ-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=C(C=CC1)C=2NC=NN2.O

Canonical SMILES

O=C(O)C1=CC=CC(=C1)C2=NN=CN2.O

Other Names for this Substance

  • Benzoic acid, 3-(1H-1,2,4-triazol-5-yl)-, hydrate (1:1)