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86171-09-7 | Quinolinium, 3-(methoxycarbonyl)-1-methyl-
CAS No: 86171-09-7 Catalog No: AG004TJ5 MDL No:
Product Description
Catalog Number:
AG004TJ5
Chemical Name:
Quinolinium, 3-(methoxycarbonyl)-1-methyl-
CAS Number:
86171-09-7
Molecular Formula:
C12H12NO2+
Molecular Weight:
202.2292
IUPAC Name:
methyl 1-methylquinolin-1-ium-3-carboxylate
InChI:
InChI=1S/C12H12NO2/c1-13-8-10(12(14)15-2)7-9-5-3-4-6-11(9)13/h3-8H,1-2H3/q+1
InChI Key:
KRQUEHONHMMSDZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[n+](C)c2c(c1)cccc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.087g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.233g/mol
Monoisotopic Mass:
202.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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