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78910-04-0 | 2H-1,2,3-Triazole-2-methanol
CAS No: 78910-04-0 Catalog No: AG0054ZO MDL No:
Product Description
Catalog Number:
AG0054ZO
Chemical Name:
2H-1,2,3-Triazole-2-methanol
CAS Number:
78910-04-0
Molecular Formula:
C3H5N3O
Molecular Weight:
99.0913
IUPAC Name:
triazol-2-ylmethanol
InChI:
InChI=1S/C3H5N3O/c7-3-6-4-1-2-5-6/h1-2,7H,3H2
InChI Key:
BPTULKXRCHMYPH-UHFFFAOYSA-N
SMILES:
OCn1nccn1
Properties
Complexity:
52.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.043g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
99.093g/mol
Monoisotopic Mass:
99.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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