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167781-27-3 | 1H-Imidazole-4,5-dicarbonitrile, 2,3-dihydro-1,3-dimethyl-2-oxo-
CAS No: 167781-27-3 Catalog No: AG001XLB MDL No:
Product Description
Catalog Number:
AG001XLB
Chemical Name:
1H-Imidazole-4,5-dicarbonitrile, 2,3-dihydro-1,3-dimethyl-2-oxo-
CAS Number:
167781-27-3
Molecular Formula:
C7H6N4O
Molecular Weight:
162.1487
IUPAC Name:
1,3-dimethyl-2-oxoimidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C7H6N4O/c1-10-5(3-8)6(4-9)11(2)7(10)12/h1-2H3
InChI Key:
IHHSHJDTSLUMPW-UHFFFAOYSA-N
SMILES:
N#Cc1n(C)c(=O)n(c1C#N)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.152g/mol
Monoisotopic Mass:
162.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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