1,2-Pyrrolidinedicarboxylic acid, 4-phenyl-, 1-(1,1-dimethylethyl) ester,(2R-trans)-


Chemical Name: 1,2-Pyrrolidinedicarboxylic acid, 4-phenyl-, 1-(1,1-dimethylethyl) ester,(2R-trans)-
CAS Number: 158567-91-0
Product Number: AG003AW3(AGN-PC-0Q7I4J)
Synonyms:
MDL No:
Molecular Formula: C16H21NO4
Molecular Weight: 291.3422

Identification/Properties


Computed Properties
Molecular Weight:
291.347g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
291.147g/mol
Monoisotopic Mass:
291.147g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
396
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:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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