1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-


Chemical Name: 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-
CAS Number: 85-40-5
Product Number: AG003UP3(AGN-PC-07A278)
Synonyms:
MDL No:
Molecular Formula: C8H9NO2
Molecular Weight: 151.1626

Identification/Properties


Properties
MP:
132-140 °C
BP:
336.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.5810 (estimate)
Computed Properties
Molecular Weight:
151.165g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
151.063g/mol
Monoisotopic Mass:
151.063g/mol
Topological Polar Surface Area:
46.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
221
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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#:
-
Hazard Statements:
H302-H317
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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