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3-Hydroxy-3-methyl-2-butanone

CAT: 0572-TRC-H251185-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H251185-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115-22-0
Hazard Statement
No Data Available
Smiles
CC(=O)C(C)(C)O
Molecular Formula
C5H10O2
Molecular Weight
102.13
Shipping Conditions
Room Temperature

Chemical Information

3-Hydroxy-3-methyl-2-butanone

3-Hydroxy-3-methylbutan-2-one is a secondary alpha-hydroxy ketone.

CAS Number115-22-0
PubChem CID8261
IUPAC Name3-hydroxy-3-methylbutan-2-one
Molecular FormulaC5H10O2
Molecular Weight102.13
XLogP-0.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity84
SMILES
CC(=O)C(C)(C)O
InChI
InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
InChIKey
BNDRWEVUODOUDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-3-methyl-2-butanone
CAS: 115-22-0
CID: 8261
Formula: C5H10O2
MW: 102.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.13
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass102.068079557
Monoisotopic Mass102.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity84.1
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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