Structure

5,5-Dimethyl-1,3-cyclohexanedione

CAS
126-81-8
Catalog Number
ACM126818
Category
Other Products
Molecular Weight
140.18
Molecular Formula
C8H12O2

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Specification

Synonyms
Dimedone
IUPAC Name
5,5-Dimethylcyclohexane-1,3-dione
Canonical SMILES
CC1(CC(=O)CC(=O)C1)C
InChI
InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3
InChI Key
BADXJIPKFRBFOT-UHFFFAOYSA-N
Boiling Point
216.69 °C
Melting Point
146-148 °C
Density
1.0373 g/mL at 25 °C(lit.)
Exact Mass
140.083729621
Monoisotopic Mass
140.083729621
Physical State
Liquid
Refractive Index
n20/D 1.4787(lit.)
Storage Conditions
Dark place,inert atmosphere,Room Temperature
Topological Polar Surface Area
34.1 Ų
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