1,6-Octadien-3-ol, 3,7-dimethyl-, acetate


Chemical Name: 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
CAS Number: 115-95-7
Product Number: AG000FK5(AGN-PC-0NYW1E)
Synonyms:
MDL No:
Molecular Formula: C12H20O2
Molecular Weight: 196.2860

Identification/Properties


Computed Properties
Molecular Weight:
196.29g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
Exact Mass:
196.146g/mol
Monoisotopic Mass:
196.146g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
237
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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
Precautionary Statements:
P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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