2-(1,3-benzodioxol-5-yl)-1-benzyl-6-oxopiperidine-3-carboxylic acid


Chemical Name: 2-(1,3-benzodioxol-5-yl)-1-benzyl-6-oxopiperidine-3-carboxylic acid
CAS Number: 96939-58-1
Product Number: AG00IJVL(AGN-PC-04HB4Y)
Synonyms:
MDL No:
Molecular Formula: C20H19NO5
Molecular Weight: 353.3686

Identification/Properties


Computed Properties
Molecular Weight:
353.374g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
353.126g/mol
Monoisotopic Mass:
353.126g/mol
Topological Polar Surface Area:
76.1A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
532
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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