2,6-Octadienoic acid, 3,7-dimethyl-


Chemical Name: 2,6-Octadienoic acid, 3,7-dimethyl-
CAS Number: 459-80-3
Product Number: AG003QQX(AGN-PC-0JK9D6)
Synonyms:
MDL No:
Molecular Formula: C10H16O2
Molecular Weight: 168.2328

Identification/Properties


Properties
MP:
185-186℃ (decomp)
BP:
295.3°C at 760 mmHg
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Refractive Index:
n20/D 1.484(lit.)
Solubility:
H2O: insoluble
Computed Properties
Molecular Weight:
168.236g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
168.115g/mol
Monoisotopic Mass:
168.115g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
208
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:
H312-H315
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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