tert-butyl (3aS,6aR)-4-oxo-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate


Chemical Name: tert-butyl (3aS,6aR)-4-oxo-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CAS Number: 879686-42-7
Product Number: AG00H0ZI(AGN-PC-05IZJC)
Synonyms:
MDL No:
Molecular Formula: C12H19NO3
Molecular Weight: 225.2842

Identification/Properties


Computed Properties
Molecular Weight:
225.288g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
225.136g/mol
Monoisotopic Mass:
225.136g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
319
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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