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1195596-30-5 | 1H-1,2,4-Triazole-5-methanol, hydrochloride (1:1)
CAS No: 1195596-30-5 Catalog No: AG000P85 MDL No:MFCD29037427
Product Description
Catalog Number:
AG000P85
Chemical Name:
1H-1,2,4-Triazole-5-methanol, hydrochloride (1:1)
CAS Number:
1195596-30-5
Molecular Formula:
C3H6ClN3O
Molecular Weight:
135.5522
MDL Number:
MFCD29037427
IUPAC Name:
1H-1,2,4-triazol-5-ylmethanol;hydrochloride
InChI:
InChI=1S/C3H5N3O.ClH/c7-1-3-4-2-5-6-3;/h2,7H,1H2,(H,4,5,6);1H
InChI Key:
HXQFKFAOONICQH-UHFFFAOYSA-N
SMILES:
OCc1ncn[nH]1.Cl
NSC Number:
165531
Properties
Complexity:
58.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.02g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
135.551g/mol
Monoisotopic Mass:
135.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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