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Home > Imidazoles > 824431-99-4
824431-99-4 | 1H-Imidazole, 1-cyclopropyl-4-ethynyl-2,5-dimethyl-
CAS No: 824431-99-4 Catalog No: AG004VZN MDL No:
Product Description
Catalog Number:
AG004VZN
Chemical Name:
1H-Imidazole, 1-cyclopropyl-4-ethynyl-2,5-dimethyl-
CAS Number:
824431-99-4
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
IUPAC Name:
1-cyclopropyl-4-ethynyl-2,5-dimethylimidazole
InChI:
InChI=1S/C10H12N2/c1-4-10-7(2)12(8(3)11-10)9-5-6-9/h1,9H,5-6H2,2-3H3
InChI Key:
QWTHFHQYYGNEOR-UHFFFAOYSA-N
SMILES:
C#Cc1nc(n(c1C)C1CC1)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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