Propanoic acid, 2-oxo-, ethyl ester


Chemical Name: Propanoic acid, 2-oxo-, ethyl ester
CAS Number: 617-35-6
Product Number: AG0034WT(AGN-PC-0JKADM)
Synonyms:
MDL No:
Molecular Formula: C5H8O3
Molecular Weight: 116.1152

Identification/Properties


Properties
MP:
-58 °C
BP:
144°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.404(lit.)
Solubility:
10g/l
Computed Properties
Molecular Weight:
116.116g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
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:
106
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:
Danger
UN#:
3272
Hazard Statements:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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