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58650-48-9 | 4-Isopropylimidazole
CAS No: 58650-48-9 Catalog No: AG003LLK MDL No:MFCD19217610
Product Description
Catalog Number:
AG003LLK
Chemical Name:
4-Isopropylimidazole
CAS Number:
58650-48-9
Molecular Formula:
C6H10N2
Molecular Weight:
110.1570
MDL Number:
MFCD19217610
IUPAC Name:
5-propan-2-yl-1H-imidazole
InChI:
InChI=1S/C6H10N2/c1-5(2)6-3-7-4-8-6/h3-5H,1-2H3,(H,7,8)
InChI Key:
HINMGNHBDCADKG-UHFFFAOYSA-N
SMILES:
CC(c1nc[nH]c1)C
Properties
Complexity:
70.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.16g/mol
Monoisotopic Mass:
110.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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