tert-Butyl 5-oxohexahydro-1H-isoindole-2(3H)-carboxylate


Chemical Name: tert-Butyl 5-oxohexahydro-1H-isoindole-2(3H)-carboxylate
CAS Number: 203661-68-1
Product Number: AG002924(AGN-PC-0WCKFT)
Synonyms:
MDL No:
Molecular Formula: C13H21NO3
Molecular Weight: 239.3107

Identification/Properties


Computed Properties
Molecular Weight:
239.315g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
239.152g/mol
Monoisotopic Mass:
239.152g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
332
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback