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89721-59-5 | Acetamide, 2-cyano-2-[[1-(1H-1,2,4-triazol-1-yl)ethoxy]imino]-
CAS No: 89721-59-5 Catalog No: AG0042G8 MDL No:
Product Description
Catalog Number:
AG0042G8
Chemical Name:
Acetamide, 2-cyano-2-[[1-(1H-1,2,4-triazol-1-yl)ethoxy]imino]-
CAS Number:
89721-59-5
Molecular Formula:
C7H8N6O2
Molecular Weight:
208.1774
IUPAC Name:
2-amino-2-oxo-N-[1-(1,2,4-triazol-1-yl)ethoxy]ethanimidoyl cyanide
InChI:
InChI=1S/C7H8N6O2/c1-5(13-4-10-3-11-13)15-12-6(2-8)7(9)14/h3-5H,1H3,(H2,9,14)
InChI Key:
VKFQKOOJPHUPDH-UHFFFAOYSA-N
SMILES:
CC(n1cncn1)ON=C(C(=O)N)C#N
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.181g/mol
Monoisotopic Mass:
208.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0
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