methyl 3-oxo-3-pyridin-3-ylpropanoate


Chemical Name: methyl 3-oxo-3-pyridin-3-ylpropanoate
CAS Number: 54950-20-8
Product Number: AG00I9T4(AGN-PC-0JLGEP)
Synonyms:
MDL No:
Molecular Formula: C9H9NO3
Molecular Weight: 179.1727

Identification/Properties


Properties
MP:
34-42 °C
BP:
283.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
179.175g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
179.058g/mol
Monoisotopic Mass:
179.058g/mol
Topological Polar Surface Area:
56.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
203
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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