4-Octanone


Chemical Name: 4-Octanone
CAS Number: 589-63-9
Product Number: AG003TGQ(AGN-PC-0JKA2M)
Synonyms:
MDL No:
Molecular Formula: C8H16O
Molecular Weight: 128.2120

Identification/Properties


Properties
BP:
163.0°C
Computed Properties
Molecular Weight:
128.215g/mol
XLogP3:
2.1
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


GHS Pictogram:
Signal Word:
Danger
UN#:
1224
Hazard Statements:
H226
Precautionary Statements:
P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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