1,3(2H,4H)-Isoquinolinedione, 2-(4-methylphenyl)-


Chemical Name: 1,3(2H,4H)-Isoquinolinedione, 2-(4-methylphenyl)-
CAS Number: 73109-31-6
Product Number: AG008QJU(AGN-PC-0KZDS2)
Synonyms:
MDL No:
Molecular Formula: C16H13NO2
Molecular Weight: 251.2799

Identification/Properties


Computed Properties
Molecular Weight:
251.285g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
251.095g/mol
Monoisotopic Mass:
251.095g/mol
Topological Polar Surface Area:
37.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
371
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


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