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Pinacolone

CAT: 1596-AR-P31677-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P31677-02Size:25 Units
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CAS Number
75-97-8
Synonyms
3,3-dimethylbutan-2-one
Molecular Formula
C6H12O
Molecular Weight
100.16
API Name
Pinacolone

Chemical Information

Pinacolone

3,3-dimethylbutan-2-one is a methyl ketone that is butane substituted by an oxo group at position 2 and two methyl groups at position 3. It is a dialkyl ketone and a methyl ketone.

CAS Number75-97-8
PubChem CID6416
IUPAC Name3,3-dimethylbutan-2-one
Molecular FormulaC6H12O
Molecular Weight100.16
XLogP1.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity76
SMILES
CC(=O)C(C)(C)C
InChI
InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
InChIKey
PJGSXYOJTGTZAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pinacolone
CAS: 75-97-8
CID: 6416
Formula: C6H12O
MW: 100.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.16
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass100.088815002
Monoisotopic Mass100.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity76.7
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

Alternative Products

CatalogName
462633-01Pinacolone
TRC-P457802-5MGPinacolone-d9
P19520Pinacolone 96%
sc-228950Pinacolone oxime
27018355-100gPinacolone (3,3-Dimethyl-2-butanone)

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