1H-Isoindole-1,3(2H)-dione, 2-(5-hexynyl)-


Chemical Name: 1H-Isoindole-1,3(2H)-dione, 2-(5-hexynyl)-
CAS Number: 6097-08-1
Product Number: AG003SDO(AGN-PC-0KSTKO)
Synonyms:
MDL No:
Molecular Formula: C14H13NO2
Molecular Weight: 227.2585

Identification/Properties


Properties
MP:
68-72 °C(lit.)
BP:
360.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
227.263g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
227.095g/mol
Monoisotopic Mass:
227.095g/mol
Topological Polar Surface Area:
37.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
342
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#:
-
Hazard Statements:
H302-H317
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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