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61053-16-5 | 1H-Imidazole-4,5-dicarbonitrile, 1,2-dimethyl-
CAS No: 61053-16-5 Catalog No: AG00IAST MDL No:MFCD16495983
Product Description
Catalog Number:
AG00IAST
Chemical Name:
1H-Imidazole-4,5-dicarbonitrile, 1,2-dimethyl-
CAS Number:
61053-16-5
Molecular Formula:
C7H6N4
Molecular Weight:
146.1493
MDL Number:
MFCD16495983
IUPAC Name:
1,2-dimethylimidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C7H6N4/c1-5-10-6(3-8)7(4-9)11(5)2/h1-2H3
InChI Key:
FLCJYTVCMWZSGR-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)nc(n1C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.153g/mol
Monoisotopic Mass:
146.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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