6-Hydroxyisoquinolin-1(2H)-one


Chemical Name: 6-Hydroxyisoquinolin-1(2H)-one
CAS Number: 252061-78-2
Product Number: AG002QXI(AGN-PC-0N5P1O)
Synonyms:
MDL No:
Molecular Formula: C9H7NO2
Molecular Weight: 161.1574

Identification/Properties


Computed Properties
Molecular Weight:
161.16g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
161.048g/mol
Monoisotopic Mass:
161.048g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
225
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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Chemical Structure



1(2H)-Isoquinolinone, 6-hydroxy- is a versatile compound widely used in various chemical synthesis applications. This compound serves as a key building block in the creation of pharmaceuticals, agrochemicals, and advanced materials due to its unique chemical properties.In chemical synthesis, 1(2H)-Isoquinolinone, 6-hydroxy- can be utilized as a precursor in the production of heterocyclic compounds. Its hydroxy group provides reactivity that enables it to participate in a variety of organic reactions, such as acylation, alkylation, and cyclization processes. Additionally, the isoquinolinone scaffold offers opportunities for further modification or functionalization, allowing for the synthesis of structurally diverse molecules.Furthermore, 1(2H)-Isoquinolinone, 6-hydroxy- can be employed as a starting material for the synthesis of bioactive compounds with potential pharmacological properties. By incorporating this compound into synthetic pathways, chemists can access a wide range of molecular structures with desired biological activities, making it a valuable tool in drug discovery and development efforts.Overall, the application of 1(2H)-Isoquinolinone, 6-hydroxy- in chemical synthesis highlights its importance as a versatile intermediate in the creation of complex organic molecules with diverse industrial and scientific applications.