Hexane-2,4-dione

CAT: 0127-OR938383-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR938383-01Size:1 g

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CAS Number

3002-24-2

MDL Number

MFCD00009318

Purity

99%

Smiles

CCC(=O)CC(=O)C

Chemical Information

2,4-Hexanedione

CAS Number	3002-24-2
PubChem CID	76355
IUPAC Name	hexane-2,4-dione
Molecular Formula	C6H10O2
Molecular Weight	114.14
XLogP	0.3
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	105

SMILES

CCC(=O)CC(=O)C

InChI

InChI=1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3

InChIKey

NDOGLIPWGGRQCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3002-24-2

CID: 76355

Formula: C6H10O2

MW: 114.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.14
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	114.068079557
Monoisotopic Mass	114.068079557
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	105
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
OR80630	Hexane-3,4-dione
OR8860-01	Hexane-2,5-dione
OR1005945	Hexane-2,3-dione
OR14383	6-Hydroxy-1- (4-methylphenyl) hexane-1,3-dione
OR312252	4-azaspiro[2.3]hexane hemioxalate
OR1047093-01	Heptane-2,4-dione
OR16430-01	Pentane-2,4-dione
OR48245-01	Piperidine-2,4-dione
OR1004252-01	Nonane-2,4-dione
OR1037399-01	Azepane-2,4-dione

Catalog	Name
279663-01	Hexane-2,4-dione
HY-Y0315-01	Hexane-2,5-dione
H2034-93J	Hexane-2,5-dione Monoethyleneketal
FO62778-01	3-Oxabicyclo[3.1.0]hexane-2,4-dione
FAA61769	3-Azabicyclo[3.1.0]hexane-2,4-dione
TRC-B394980-250MG	6-[4'-N-(biotinylaminopropyl-NHCOCH2-PEG2-acetyl)-aminophenyl]-hexane-2,4-dione
437765	6-[4'-N- (biotinylaminopropyl-NHCOCH2-PEG2-acetyl) -aminophenyl]-hexane-2,4-dione
AAA71097-01	1-Phenyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
sc-312518A	3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione
sc-291424	6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione