cis-tert-Butyl 4-oxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate


Chemical Name: cis-tert-Butyl 4-oxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
CAS Number: 1251003-89-0
Product Number: AG000N5U(AGN-PC-0WAGLA)
Synonyms:
MDL No:
Molecular Formula: C11H18N2O3
Molecular Weight: 226.2722

Identification/Properties


Computed Properties
Molecular Weight:
226.276g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
226.132g/mol
Monoisotopic Mass:
226.132g/mol
Topological Polar Surface Area:
58.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
322
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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