4-(1H-1,2,4-Triazol-5-yl)benzoic acid hydrate

ALDRICH/CBR00994 - Aldrich^CPR

Empirical Formula (Hill Notation): C₉H₉N₃O₃
Molecular Weight: 207.19
MDL Number: MFCD18428088
Linear Formula: C₉H₉N₃O₃
Product Type: Chemical

form	solid
InChI	1S/C9H7N3O2.H2O/c13-9(14)7-3-1-6(2-4-7)8-10-5-11-12-8;/h1-5H,(H,13,14)(H,10,11,12);1H2
InChI key	ZENYHDSETXEWTM-UHFFFAOYSA-N
SMILES string	O.OC(=O)c1ccc(cc1)-c2ncn[nH]2

Analysis Note:	may contain up to 1.5 eq water
Legal Information:	Product of ChemBridge Corp.
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