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89721-55-1 | Acetamide, 2-cyano-2-[(1H-1,2,4-triazol-1-ylmethoxy)imino]-
CAS No: 89721-55-1 Catalog No: AG0042G9 MDL No:
Product Description
Catalog Number:
AG0042G9
Chemical Name:
Acetamide, 2-cyano-2-[(1H-1,2,4-triazol-1-ylmethoxy)imino]-
CAS Number:
89721-55-1
Molecular Formula:
C6H6N6O2
Molecular Weight:
194.1508
IUPAC Name:
2-amino-2-oxo-N-(1,2,4-triazol-1-ylmethoxy)ethanimidoyl cyanide
InChI:
InChI=1S/C6H6N6O2/c7-1-5(6(8)13)11-14-4-12-3-9-2-10-12/h2-3H,4H2,(H2,8,13)
InChI Key:
MCHQWRRDSQAXTB-UHFFFAOYSA-N
SMILES:
NC(=O)C(=NOCn1cncn1)C#N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.154g/mol
Monoisotopic Mass:
194.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
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