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88344-49-4 | 3,4-Quinolinedicarboxylic acid, 2-methyl-, dimethyl ester, 1-oxide
CAS No: 88344-49-4 Catalog No: AG0047QN MDL No:
Product Description
Catalog Number:
AG0047QN
Chemical Name:
3,4-Quinolinedicarboxylic acid, 2-methyl-, dimethyl ester, 1-oxide
CAS Number:
88344-49-4
Molecular Formula:
C14H13NO5
Molecular Weight:
275.2567
IUPAC Name:
dimethyl 2-methyl-1-oxidoquinolin-1-ium-3,4-dicarboxylate
InChI:
InChI=1S/C14H13NO5/c1-8-11(13(16)19-2)12(14(17)20-3)9-6-4-5-7-10(9)15(8)18/h4-7H,1-3H3
InChI Key:
KOFOSSLHHBBOLQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C(=O)OC)c(C)[n+](c2c1cccc2)[O-]
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.26g/mol
Monoisotopic Mass:
275.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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