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Home > Imidazoles > 99010-63-6
99010-63-6 | 1-(2-methylpropyl)-5-oxidoimidazo[4,5-c]quinolin-5-ium
CAS No: 99010-63-6 Catalog No: AG01DHDT MDL No:
Product Description
Catalog Number:
AG01DHDT
Chemical Name:
1-(2-methylpropyl)-5-oxidoimidazo[4,5-c]quinolin-5-ium
CAS Number:
99010-63-6
Molecular Formula:
C14H15N3O
Molecular Weight:
241.2884
IUPAC Name:
1-(2-methylpropyl)-5-oxidoimidazo[4,5-c]quinolin-5-ium
InChI:
InChI=1S/C14H15N3O/c1-10(2)7-16-9-15-12-8-17(18)13-6-4-3-5-11(13)14(12)16/h3-6,8-10H,7H2,1-2H3
InChI Key:
RBKTVDLDAPUNMV-UHFFFAOYSA-N
SMILES:
CC(Cn1cnc2c1c1ccccc1[n+](c2)[O-])C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.294g/mol
Monoisotopic Mass:
241.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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