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


Chemical Name: 1,2-Pyrrolidinedicarboxylic acid, 4-chloro-, 1-(1,1-dimethylethyl)2-methyl ester, (2S,4S)-
CAS Number: 169032-99-9
Product Number: AG001YGM(AGN-PC-0Q9DRK)
Synonyms:
MDL No:
Molecular Formula: C11H18ClNO4
Molecular Weight: 263.7179

Identification/Properties


Computed Properties
Molecular Weight:
263.718g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
263.092g/mol
Monoisotopic Mass:
263.092g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
313
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-H317
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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