Isoxazolo[5,4-c]pyridin-3(2H)-one, 4,5,6,7-tetrahydro-,monohydrochloride


Chemical Name: Isoxazolo[5,4-c]pyridin-3(2H)-one, 4,5,6,7-tetrahydro-,monohydrochloride
CAS Number: 85118-33-8
Product Number: AG003QPM(AGN-PC-0UXR18)
Synonyms:
MDL No:
Molecular Formula: C6H9ClN2O2
Molecular Weight: 176.6009

Identification/Properties


Properties
MP:
>208°C (dec.)
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
ethanol: soluble0.91mg/mL
Computed Properties
Molecular Weight:
176.6g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
176.035g/mol
Monoisotopic Mass:
176.035g/mol
Topological Polar Surface Area:
50.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
210
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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