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50995-98-7 | 4-Allyl-1H-imidazole
CAS No: 50995-98-7 Catalog No: AG00DMRK MDL No:
Product Description
Catalog Number:
AG00DMRK
Chemical Name:
4-Allyl-1H-imidazole
CAS Number:
50995-98-7
IUPAC Name:
5-prop-2-enyl-1H-imidazole
InChI:
InChI=1S/C6H8N2/c1-2-3-6-4-7-5-8-6/h2,4-5H,1,3H2,(H,7,8)
InChI Key:
PJCTVLGNVGGVJR-UHFFFAOYSA-N
Properties
Complexity:
80.6
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:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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