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


Chemical Name: 1,2-Pyrrolidinedicarboxylic acid, 4-(phenylmethoxy)-,1-(1,1-dimethylethyl) ester, (2S,4R)-
CAS Number: 54631-81-1
Product Number: AG00D84Y(AGN-PC-0SHR4W)
Synonyms:
MDL No:
Molecular Formula: C17H23NO5
Molecular Weight: 321.3682

Identification/Properties


Computed Properties
Molecular Weight:
321.373g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
321.158g/mol
Monoisotopic Mass:
321.158g/mol
Topological Polar Surface Area:
76.1A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
425
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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