1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl)2-methyl ester, (2S,4R)-


Chemical Name: 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl)2-methyl ester, (2S,4R)-
CAS Number: 74844-91-0
Product Number: AG003SU8(AGN-PC-0U67B3)
Synonyms:
MDL No: MFCD00076981
Molecular Formula: C11H19NO5
Molecular Weight: 245.2723

Identification/Properties


Properties
MP:
91-96 °C
BP:
335.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Solubility:
Soluble in chloroform, dichloromethane and ethyl acetate.
Computed Properties
Molecular Weight:
245.275g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
245.126g/mol
Monoisotopic Mass:
245.126g/mol
Topological Polar Surface Area:
76.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
310
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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