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70792-49-3 | Acetamide, N-(aminocarbonyl)-2-cyano-2-[(cyanomethoxy)imino]-
CAS No: 70792-49-3 Catalog No: AG005G3L MDL No:
Product Description
Catalog Number:
AG005G3L
Chemical Name:
Acetamide, N-(aminocarbonyl)-2-cyano-2-[(cyanomethoxy)imino]-
CAS Number:
70792-49-3
Molecular Formula:
C6H5N5O3
Molecular Weight:
195.1356
IUPAC Name:
2-(carbamoylamino)-N-(cyanomethoxy)-2-oxoethanimidoyl cyanide
InChI:
InChI=1S/C6H5N5O3/c7-1-2-14-11-4(3-8)5(12)10-6(9)13/h2H2,(H3,9,10,12,13)
InChI Key:
WWHSBZKAEKCBRR-UHFFFAOYSA-N
SMILES:
NC(=O)NC(=O)C(=NOCC#N)C#N
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.138g/mol
Monoisotopic Mass:
195.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.3
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