3-Quinolinecarboxylic acid,1,2,5,6,7,8-hexahydro-7,7-dimethyl-2,5-dioxo-


Chemical Name: 3-Quinolinecarboxylic acid,1,2,5,6,7,8-hexahydro-7,7-dimethyl-2,5-dioxo-
CAS Number: 106551-79-5
Product Number: AG009OEE(AGN-PC-0OW53A)
Synonyms:
MDL No:
Molecular Formula: C12H13NO4
Molecular Weight: 235.2359

Identification/Properties


Computed Properties
Molecular Weight:
235.239g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
235.084g/mol
Monoisotopic Mass:
235.084g/mol
Topological Polar Surface Area:
83.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
497
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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