Octanone


Chemical Name: Octanone
CAS Number: 111-13-7
Product Number: AG003HTN(AGN-PC-007FYY)
Synonyms:
MDL No:
Molecular Formula: C8H16O
Molecular Weight: 128.2120

Identification/Properties


Properties
MP:
-16 °C
BP:
173°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.416(lit.)
Solubility:
0.9g/l
Computed Properties
Molecular Weight:
128.215g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
128.12g/mol
Monoisotopic Mass:
128.12g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
76.6
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


NMR Spectrum


Other Analytical Data


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