1,3-Cyclohexanedione, 5-(1-methylethyl)-


Chemical Name: 1,3-Cyclohexanedione, 5-(1-methylethyl)-
CAS Number: 18456-87-6
Product Number: AG003MTH(AGN-PC-0JSZRX)
Synonyms:
MDL No:
Molecular Formula: C9H14O2
Molecular Weight: 154.2063

Identification/Properties


Properties
MP:
63-65 °C(lit.);
BP:
259.1 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
154.209g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
154.099g/mol
Monoisotopic Mass:
154.099g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
166
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:
Warning
UN#:
-
Hazard Statements:
H317
Precautionary Statements:
P261-P272-P280-P302+P352-P333+P313-P363-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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