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Home > Imidazoles > 141690-51-9
141690-51-9 | 1H-Imidazole-5-carbonitrile, 2,5-dihydro-4-methyl-
CAS No: 141690-51-9 Catalog No: AG001GWV MDL No:
Product Description
Catalog Number:
AG001GWV
Chemical Name:
1H-Imidazole-5-carbonitrile, 2,5-dihydro-4-methyl-
CAS Number:
141690-51-9
Molecular Formula:
C5H7N3
Molecular Weight:
109.1292
IUPAC Name:
4-methyl-2,5-dihydro-1H-imidazole-5-carbonitrile
InChI:
InChI=1S/C5H7N3/c1-4-5(2-6)8-3-7-4/h5,8H,3H2,1H3
InChI Key:
JEUUDKDSQIAAAM-UHFFFAOYSA-N
SMILES:
CC1=NCNC1C#N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
109.132g/mol
Monoisotopic Mass:
109.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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