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83505-97-9 | 1H-Imidazole-1-carbonitrile, 2,5-dimethyl-
CAS No: 83505-97-9 Catalog No: AG00506V MDL No:
Product Description
Catalog Number:
AG00506V
Chemical Name:
1H-Imidazole-1-carbonitrile, 2,5-dimethyl-
CAS Number:
83505-97-9
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
IUPAC Name:
2,5-dimethylimidazole-1-carbonitrile
InChI:
InChI=1S/C6H7N3/c1-5-3-8-6(2)9(5)4-7/h3H,1-2H3
InChI Key:
BOTDNNJLRSAUDP-UHFFFAOYSA-N
SMILES:
N#Cn1c(C)cnc1C
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:
0
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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