Benzoic acid, 4-(3,4-dihydro-1,3-dioxo-2(1H)-isoquinolinyl)-, ethyl ester


Chemical Name: Benzoic acid, 4-(3,4-dihydro-1,3-dioxo-2(1H)-isoquinolinyl)-, ethyl ester
CAS Number: 130872-48-9
Product Number: AG019HSW(AGN-PC-0JQGJ2)
Synonyms:
MDL No:
Molecular Formula: C18H15NO4
Molecular Weight: 309.3160

Identification/Properties


Computed Properties
Molecular Weight:
309.321g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
309.1g/mol
Monoisotopic Mass:
309.1g/mol
Topological Polar Surface Area:
63.7A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
481
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

Safety Information


NMR Spectrum


Other Analytical Data


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