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.H2OCite 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 ) (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)