1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methylester, (2S)-


Chemical Name: 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methylester, (2S)-
CAS Number: 102195-80-2
Product Number: AG0006VG(AGN-PC-0ORA6G)
Synonyms:
MDL No: MFCD01861778
Molecular Formula: C11H17NO5
Molecular Weight: 243.2564

Identification/Properties


Properties
MP:
42-46 °C
BP:
333.149 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
243.259g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
243.111g/mol
Monoisotopic Mass:
243.111g/mol
Topological Polar Surface Area:
72.9A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
344
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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-H312-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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