Dimedone 99.5% AR

CAT: 1278-01018 00025Size: 25 gDry Ice: NoHazardous: No

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CAT#:1278-01018 00025Size:25 g

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CAS Number

126-81-8

HS Code

29142990

Packaging Group

Chemical Information

Dimedone

RN given refers to parent cpd; structure

CAS Number	126-81-8
PubChem CID	31358
IUPAC Name	5,5-dimethylcyclohexane-1,3-dione
Molecular Formula	C8H12O2
Molecular Weight	140.18
XLogP	0.8
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	162

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

CAS: 126-81-8

CID: 31358

Formula: C8H12O2

MW: 140.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.18
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	140.083729621
Monoisotopic Mass	140.083729621
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	162
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

Catalog	Name
01018 00025	Dimedone 99.5% AR
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