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824431-84-7 | Pyridine, 4-[(2-cyclopropyl-1-methyl-1H-imidazol-4-yl)ethynyl]-2-methyl-
CAS No: 824431-84-7 Catalog No: AG0050QG MDL No:
Product Description
Catalog Number:
AG0050QG
Chemical Name:
Pyridine, 4-[(2-cyclopropyl-1-methyl-1H-imidazol-4-yl)ethynyl]-2-methyl-
CAS Number:
824431-84-7
Molecular Formula:
C15H15N3
Molecular Weight:
237.2997
IUPAC Name:
4-[2-(2-cyclopropyl-1-methylimidazol-4-yl)ethynyl]-2-methylpyridine
InChI:
InChI=1S/C15H15N3/c1-11-9-12(7-8-16-11)3-6-14-10-18(2)15(17-14)13-4-5-13/h7-10,13H,4-5H2,1-2H3
InChI Key:
CCKWRLFLIPTHRZ-UHFFFAOYSA-N
SMILES:
Cc1nccc(c1)C#Cc1cn(c(n1)C1CC1)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.306g/mol
Monoisotopic Mass:
237.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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