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88362-72-5 | 1H-Imidazole, 2-(1-methylethenyl)-
CAS No: 88362-72-5 Catalog No: AG004MV4 MDL No:
Product Description
Catalog Number:
AG004MV4
Chemical Name:
1H-Imidazole, 2-(1-methylethenyl)-
CAS Number:
88362-72-5
Molecular Formula:
C6H8N2
Molecular Weight:
108.1411
IUPAC Name:
2-prop-1-en-2-yl-1H-imidazole
InChI:
InChI=1S/C6H8N2/c1-5(2)6-7-3-4-8-6/h3-4H,1H2,2H3,(H,7,8)
InChI Key:
NZAARDFDMSTHAF-UHFFFAOYSA-N
SMILES:
CC(=C)c1ncc[nH]1
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.069g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
108.144g/mol
Monoisotopic Mass:
108.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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