3-Pyrrolidinecarboxylic acid, 1-(4-methylphenyl)-5-oxo-


Chemical Name: 3-Pyrrolidinecarboxylic acid, 1-(4-methylphenyl)-5-oxo-
CAS Number: 133747-57-6
Product Number: AG0080AJ(AGN-PC-0KKBLV)
Synonyms:
MDL No:
Molecular Formula: C12H13NO3
Molecular Weight: 219.2365

Identification/Properties


Computed Properties
Molecular Weight:
219.24g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
219.09g/mol
Monoisotopic Mass:
219.09g/mol
Topological Polar Surface Area:
57.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
295
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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