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Home > Imidazoles > 71759-91-6
71759-91-6 | 1H-Imidazole,2,4-diethynyl-1-methyl-
CAS No: 71759-91-6 Catalog No: AG005PXQ MDL No:
Product Description
Catalog Number:
AG005PXQ
Chemical Name:
1H-Imidazole,2,4-diethynyl-1-methyl-
CAS Number:
71759-91-6
Molecular Formula:
C8H6N2
Molecular Weight:
130.1466
IUPAC Name:
2,4-diethynyl-1-methylimidazole
InChI:
InChI=1S/C8H6N2/c1-4-7-6-10(3)8(5-2)9-7/h1-2,6H,3H3
InChI Key:
GUKDZGCPAYBMMB-UHFFFAOYSA-N
SMILES:
C#Cc1cn(c(n1)C#C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.15g/mol
Monoisotopic Mass:
130.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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