Pentanoic acid, 4,4-dimethyl-3-oxo-, methyl ester


Chemical Name: Pentanoic acid, 4,4-dimethyl-3-oxo-, methyl ester
CAS Number: 55107-14-7
Product Number: AG003S28(AGN-PC-0JM3PM)
Synonyms:
MDL No:
Molecular Formula: C8H14O3
Molecular Weight: 158.1950

Identification/Properties


Properties
BP:
184°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.487(lit.)
Computed Properties
Molecular Weight:
158.197g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
158.094g/mol
Monoisotopic Mass:
158.094g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
165
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:
H227-H315-H319-H335
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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