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123372-69-0 | 1H-1,2,4-Triazole-5-methanol
CAS No: 123372-69-0 Catalog No: AG000KH6 MDL No:MFCD29037427
Product Description
Catalog Number:
AG000KH6
Chemical Name:
1H-1,2,4-Triazole-5-methanol
CAS Number:
123372-69-0
Molecular Formula:
C3H5N3O
Molecular Weight:
99.0913
MDL Number:
MFCD29037427
IUPAC Name:
1H-1,2,4-triazol-5-ylmethanol
InChI:
InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)
InChI Key:
UDDMDSNULOKCLP-UHFFFAOYSA-N
SMILES:
OCc1ncn[nH]1
Properties
Complexity:
58.1
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:
2
Isotope Atom Count:
0
Molecular Weight:
99.093g/mol
Monoisotopic Mass:
99.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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