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71759-92-7 | 5-Ethynyl-1-methyl-1H-imidazole
CAS No: 71759-92-7 Catalog No: AG005PXP MDL No:MFCD04974089
Product Description
Catalog Number:
AG005PXP
Chemical Name:
5-Ethynyl-1-methyl-1H-imidazole
CAS Number:
71759-92-7
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
MDL Number:
MFCD04974089
IUPAC Name:
5-ethynyl-1-methylimidazole
InChI:
InChI=1S/C6H6N2/c1-3-6-4-7-5-8(6)2/h1,4-5H,2H3
InChI Key:
JFOSWQQRTHDTGG-UHFFFAOYSA-N
SMILES:
Cn1cncc1C#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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