(5E)-6,10-dimethylundeca-5,9-dien-2-one


Chemical Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one
CAS Number: 3796-70-1
Product Number: AG003QR3(AGN-PC-0O9JFA)
Synonyms:
MDL No:
Molecular Formula: C13H22O
Molecular Weight: 194.3132

Identification/Properties


Properties
BP:
256.038 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.467(lit.)
Computed Properties
Molecular Weight:
194.318g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
6
Exact Mass:
194.167g/mol
Monoisotopic Mass:
194.167g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
230
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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