CAS
916078-39-2 Purity
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916078-39-2 Purity
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The molecular formula is C4H7N3O.
The molecular weight is 113.12 g/mol.
The IUPAC name is (2-methyl-1,2,4-triazol-3-yl)methanol.
The InChI is InChI=1S/C4H7N3O/c1-7-4(2-8)5-3-6-7/h3,8H,2H2,1H3.
The InChIKey is QUAQZVSGXQVIEP-UHFFFAOYSA-N.
The Canonical SMILES is CN1C(=NC=N1)CO.
The CAS number is 91616-36-3.
The XLogP3-AA value is -0.8.
It has 1 hydrogen bond donor count.
Yes, the compound is canonicalized.