3-Carbethoxy-2-piperidone


Chemical Name: 3-Carbethoxy-2-piperidone
CAS Number: 3731-16-6
Product Number: AG003J5U(AGN-PC-0WA8DC)
Synonyms:
MDL No:
Molecular Formula: C8H13NO3
Molecular Weight: 171.1937

Identification/Properties


Properties
MP:
80-82 °C(lit.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
171.196g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
171.09g/mol
Monoisotopic Mass:
171.09g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
191
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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