1(2H)-Isoquinolinone


Chemical Name: 1(2H)-Isoquinolinone
CAS Number: 491-30-5
Product Number: AG00I8TX(AGN-PC-0JK9HG)
Synonyms:
MDL No:
Molecular Formula: C9H7NO
Molecular Weight: 145.1580

Identification/Properties


Properties
MP:
211 - 214 °C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
145.161g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
145.053g/mol
Monoisotopic Mass:
145.053g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
198
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:
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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