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84811-85-8 | Quinolinium, 3-(aminocarbonyl)-1-methyl-
CAS No: 84811-85-8 Catalog No: AG004NFI MDL No:
Product Description
Catalog Number:
AG004NFI
Chemical Name:
Quinolinium, 3-(aminocarbonyl)-1-methyl-
CAS Number:
84811-85-8
Molecular Formula:
C11H11N2O+
Molecular Weight:
187.2178
IUPAC Name:
1-methylquinolin-1-ium-3-carboxamide
InChI:
InChI=1S/C11H10N2O/c1-13-7-9(11(12)14)6-8-4-2-3-5-10(8)13/h2-7H,1H3,(H-,12,14)/p+1
InChI Key:
GRSKANOLGFRRCI-UHFFFAOYSA-O
SMILES:
NC(=O)c1c[n+](C)c2c(c1)cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.087g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.222g/mol
Monoisotopic Mass:
187.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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