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91616-36-3 | 3-Hydroxymethyl-2-methyl-1,2,4-triazole
CAS No: 91616-36-3 Catalog No: AG0036YX MDL No:MFCD06738804
Product Description
Catalog Number:
AG0036YX
Chemical Name:
3-Hydroxymethyl-2-methyl-1,2,4-triazole
CAS Number:
91616-36-3
Molecular Formula:
C4H7N3O
Molecular Weight:
113.1179
MDL Number:
MFCD06738804
IUPAC Name:
(2-methyl-1,2,4-triazol-3-yl)methanol
InChI:
InChI=1S/C4H7N3O/c1-7-4(2-8)5-3-6-7/h3,8H,2H2,1H3
InChI Key:
QUAQZVSGXQVIEP-UHFFFAOYSA-N
SMILES:
Cn1ncnc1CO
Properties
Complexity:
77.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.059g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.12g/mol
Monoisotopic Mass:
113.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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