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1238058-12-2 | 4,5-dimethyl-1H-imidazole-2-carbonitrile
CAS No: 1238058-12-2 Catalog No: AG01B6U2 MDL No:MFCD24609967
Product Description
Catalog Number:
AG01B6U2
Chemical Name:
4,5-dimethyl-1H-imidazole-2-carbonitrile
CAS Number:
1238058-12-2
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD24609967
IUPAC Name:
4,5-dimethyl-1H-imidazole-2-carbonitrile
InChI:
InChI=1S/C6H7N3/c1-4-5(2)9-6(3-7)8-4/h1-2H3,(H,8,9)
InChI Key:
VEJJTIVGAPRBKJ-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c(c(n1)C)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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