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40056-53-9 | 2-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE
CAS No: 40056-53-9 Catalog No: AG00CML5 MDL No:MFCD05975058
Product Description
Catalog Number:
AG00CML5
Chemical Name:
2-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE
CAS Number:
40056-53-9
Molecular Formula:
C6H4N4
Molecular Weight:
132.1228
MDL Number:
MFCD05975058
IUPAC Name:
2-methyl-1H-imidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C6H4N4/c1-4-9-5(2-7)6(3-8)10-4/h1H3,(H,9,10)
InChI Key:
ZEAVNOQDMHVDLU-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c(nc1C#N)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.126g/mol
Monoisotopic Mass:
132.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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