Octane-3,6-dione

CAT: 0127-OR92216-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR92216-01Size:250 mg

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CAS Number

2955-65-9

MDL Number

MFCD03093028

Purity

98%

Smiles

CCC(=O)CCC(=O)CC

Chemical Information

3,6-Octanedione

CAS Number	2955-65-9
PubChem CID	165054
IUPAC Name	octane-3,6-dione
Molecular Formula	C8H14O2
Molecular Weight	142.20
XLogP	0.5
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	111

SMILES

CCC(=O)CCC(=O)CC

InChI

InChI=1S/C8H14O2/c1-3-7(9)5-6-8(10)4-2/h3-6H2,1-2H3

InChIKey

CVZGUJMLZZTPKH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2955-65-9

CID: 165054

Formula: C8H14O2

MW: 142.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	142.099379685
Monoisotopic Mass	142.099379685
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	111
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
OR1024583-01	Octane-2,3-dione
OR1068255-01	6-Azaspiro[3.4]octane-2,5-dione
OR94587-01	5,7-Diazaspiro[3.4]octane-6,8-dione
OR1063368-01	Octane-2,7-dione
OR1076980-01	6-Azaspiro[2.5]octane-5,7-dione
OR87676-01	5-Azaspiro[2.5]octane-6,8-dione
OR73152	2,5,7-triazaspiro[3.4]octane-6,8-dione hydrochloride
OR939423-01	Cis-bicyclo[3.3.0]octane-3,7-dione
OR1068118-01	3-Oxabicyclo[3.2.1]octane-2,4-dione
OR312257	6-Azaspiro[3.4]octane

Catalog	Name
JBD30514-01	5-Azaspiro[3.4]octane-6,8-dione
BAA49716-01	6-Azaspiro[3.4]octane-5,7-dione
VKC61898-01	6-Oxaspiro[3.4]octane-5,7-dione
442700-01	Bicyclo[3.2.1]octane-2,6-dione
RID10207-01	6-Azaspiro[3.4]octane-2,5-dione
FPD80019-01	6λ6-Thia-1-azaspiro[3.4]octane-6,6-dione hydrochloride
TRC-D679808-5MG	5,7-Diazaspiro[3.4]octane-6,8-dione
BXC98304-01	6-Benzyl-6-azabicyclo[3.2.1]octane-2,7-dione
BAA62609	Octane-2,7-dione
UFA72822-01	6-Oxaspiro[2.5]octane-5,7-dione