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Home > Imidazoles > 55384-94-6
55384-94-6 | 4-ETHYNYL-1-METHYL-1H-IMIDAZOLE
CAS No: 55384-94-6 Catalog No: AG01DRI6 MDL No:
Product Description
Catalog Number:
AG01DRI6
Chemical Name:
4-ETHYNYL-1-METHYL-1H-IMIDAZOLE
CAS Number:
55384-94-6
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
IUPAC Name:
4-ethynyl-1-methylimidazole
InChI:
InChI=1S/C6H6N2/c1-3-6-4-8(2)5-7-6/h1,4-5H,2H3
InChI Key:
KHQAFOOAJHOTDD-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1)C#C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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