3-Pyrrolidinecarboxylic acid, 4-(4-chlorophenyl)-, methyl ester, (3R,4S)-


Chemical Name: 3-Pyrrolidinecarboxylic acid, 4-(4-chlorophenyl)-, methyl ester, (3R,4S)-
CAS Number: 813425-70-6
Product Number: AG00G690(AGN-PC-0OIJ5I)
Synonyms:
MDL No:
Molecular Formula: C12H14ClNO2
Molecular Weight: 239.69806

Identification/Properties


Computed Properties
Molecular Weight:
239.699g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
239.071g/mol
Monoisotopic Mass:
239.071g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
251
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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