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828268-67-3 | 1H-1,2,4-Triazolium, 1,4-dimethyl-, nitrate
CAS No: 828268-67-3 Catalog No: AG004SY5 MDL No:
Product Description
Catalog Number:
AG004SY5
Chemical Name:
1H-1,2,4-Triazolium, 1,4-dimethyl-, nitrate
CAS Number:
828268-67-3
Molecular Formula:
C4H10N4O3
Molecular Weight:
162.1472
IUPAC Name:
1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium;nitrate
InChI:
InChI=1S/C4H9N3.NO3/c1-6-3-5-7(2)4-6;2-1(3)4/h3H,4H2,1-2H3;/q;-1/p+1
InChI Key:
XDOKITHQEBQPNK-UHFFFAOYSA-O
SMILES:
CN1C=N[NH+](C1)C.[O-][N+](=O)[O-]
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.149g/mol
Monoisotopic Mass:
162.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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