1(2H)-Isoquinolinone, 3,4-dihydro-6-hydroxy-


Chemical Name: 1(2H)-Isoquinolinone, 3,4-dihydro-6-hydroxy-
CAS Number: 22245-98-3
Product Number: AG006Z63(AGN-PC-0NL5C6)
Synonyms:
MDL No:
Molecular Formula: C9H9NO2
Molecular Weight: 163.1733

Identification/Properties


Computed Properties
Molecular Weight:
163.176g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
163.063g/mol
Monoisotopic Mass:
163.063g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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