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


Chemical Name: 1,3(2H,4H)-Isoquinolinedione, 2-hydroxy-
CAS Number: 6890-08-0
Product Number: AG00FDF9(AGN-PC-0JS6B9)
Synonyms:
MDL No:
Molecular Formula: C9H7NO3
Molecular Weight: 177.15678

Identification/Properties


Computed Properties
Molecular Weight:
177.159g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
177.043g/mol
Monoisotopic Mass:
177.043g/mol
Topological Polar Surface Area:
57.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
251
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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