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Home > Imidazoles > 223419-76-9
223419-76-9 | 4-(But-3-yn-1-yl)-1H-imidazole
CAS No: 223419-76-9 Catalog No: AG00I4EG MDL No:MFCD18632755
Product Description
Catalog Number:
AG00I4EG
Chemical Name:
4-(But-3-yn-1-yl)-1H-imidazole
CAS Number:
223419-76-9
MDL Number:
MFCD18632755
IUPAC Name:
5-but-3-ynyl-1H-imidazole
InChI:
InChI=1S/C7H8N2/c1-2-3-4-7-5-8-6-9-7/h1,5-6H,3-4H2,(H,8,9)
InChI Key:
IGWFXUHNYJCMLQ-UHFFFAOYSA-N
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.069g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.155g/mol
Monoisotopic Mass:
120.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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