Pentanoic acid, 2,4-dioxo-, ethyl ester


Chemical Name: Pentanoic acid, 2,4-dioxo-, ethyl ester
CAS Number: 615-79-2
Product Number: AG003Q2H(AGN-PC-0JL8VI)
Synonyms:
MDL No:
Molecular Formula: C7H10O4
Molecular Weight: 158.1519

Identification/Properties


Properties
MP:
16-18 °C(lit.);
BP:
214.7°C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.474(lit.)
Computed Properties
Molecular Weight:
158.153g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
158.058g/mol
Monoisotopic Mass:
158.058g/mol
Topological Polar Surface Area:
60.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
183
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#:
N/A
Hazard Statements:
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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