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911398-07-7 | 1-(but-3-yn-1-yl)-1H-imidazole
CAS No: 911398-07-7 Catalog No: AG018HC2 MDL No:MFCD18851509
Product Description
Catalog Number:
AG018HC2
Chemical Name:
1-(but-3-yn-1-yl)-1H-imidazole
CAS Number:
911398-07-7
Molecular Formula:
C7H8N2
Molecular Weight:
120.1518
MDL Number:
MFCD18851509
IUPAC Name:
1-but-3-ynylimidazole
InChI:
InChI=1S/C7H8N2/c1-2-3-5-9-6-4-8-7-9/h1,4,6-7H,3,5H2
InChI Key:
HPNGAKRZCAWRBQ-UHFFFAOYSA-N
SMILES:
C#CCCn1cncc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
120.155g/mol
Monoisotopic Mass:
120.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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