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Dimedone

CAT: 0804-HY-W015740-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W015740-02Size:100 g
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Description
Dimedone (5,5-Dimethylcyclohexane-1,3-dione) is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
126-81-8
Product Name Alternative
5,5-Dimethylcyclohexane-1,3-dione
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/5-5-dimethylcyclohexane-1-3-dione.html
Purity
99.97
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C1CC(CC(C)(C)C1)=O
Molecular Formula
C8H12O2
Molecular Weight
140.18
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Dimedone

RN given refers to parent cpd; structure

CAS Number126-81-8
PubChem CID31358
IUPAC Name5,5-dimethylcyclohexane-1,3-dione
Molecular FormulaC8H12O2
Molecular Weight140.18
XLogP0.8
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity162
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
InChIKey
BADXJIPKFRBFOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimedone
CAS: 126-81-8
CID: 31358
Formula: C8H12O2
MW: 140.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.18
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass140.083729621
Monoisotopic Mass140.083729621
Topological Polar Surface Area34.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-D460200-100GDimedone
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01018 00025Dimedone 99.5% AR
504020DIMEDONE (5,5‐DIMETHYL‐1,3‐ CYCLOHEXANEDIONE)

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