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41253-21-8 | 1H-1,2,4-Triazole,sodium salt (1:1)
CAS No: 41253-21-8 Catalog No: AG0032K5 MDL No:MFCD00044437
Product Description
Catalog Number:
AG0032K5
Chemical Name:
1H-1,2,4-Triazole,sodium salt (1:1)
CAS Number:
41253-21-8
Molecular Formula:
C2H2N3Na
Molecular Weight:
91.0472
MDL Number:
MFCD00044437
IUPAC Name:
sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene
InChI:
InChI=1S/C2H2N3.Na/c1-3-2-5-4-1;/h1-2H;/q-1;+1
InChI Key:
NVMNEWNGLGACBB-UHFFFAOYSA-N
SMILES:
c1nc[n-]n1.[Na+]
UNII:
X90002Y44E
Properties
Complexity:
32
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
91.015g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
91.049g/mol
Monoisotopic Mass:
91.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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