3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, methyl ester


Chemical Name: 3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, methyl ester
CAS Number: 57611-47-9
Product Number: AG00E9QX(AGN-PC-0JLFX7)
Synonyms:
MDL No:
Molecular Formula: C14H17NO3
Molecular Weight: 247.2897

Identification/Properties


Properties
MP:
182℃
BP:
366°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
247.294g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
247.121g/mol
Monoisotopic Mass:
247.121g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
310
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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