Propanoic acid, 3-oxo-, ethyl ester


Chemical Name: Propanoic acid, 3-oxo-, ethyl ester
CAS Number: 34780-29-5
Product Number: AG0037C0(AGN-PC-0CUHS7)
Synonyms:
MDL No:
Molecular Formula: C5H8O3
Molecular Weight: 116.1152

Identification/Properties


Properties
Storage:
-10 ℃;Inert atmosphere;
Computed Properties
Molecular Weight:
116.116g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
116.047g/mol
Monoisotopic Mass:
116.047g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
87.7
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:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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