Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-,1,1-dimethylethyl ester, (3aR,6aR)-rel-


Chemical Name: Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-,1,1-dimethylethyl ester, (3aR,6aR)-rel-
CAS Number: 180975-51-3
Product Number: AG0022I6(AGN-PC-0QBWRS)
Synonyms:
MDL No:
Molecular Formula: C11H20N2O2
Molecular Weight: 212.2887

Identification/Properties


Properties
BP:
295.397°C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
212.293g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
212.152g/mol
Monoisotopic Mass:
212.152g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
260
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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