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Potassium isobutyrate

CAT: 0931-TN9422-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9422-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19455-20-0
Target
Others
Related Pathways
Others
Purity
0.9979
Bioactivity
Potassium isobutyrate is a carboxylate salt widely used in biochemical experiments and drug synthesis research.
Smiles
O=C(C(C)C)[O-].[K+]
Molecular Formula
C4H7KO2
Molecular Weight
126.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Potassium isobutyrate
CAS Number19455-20-0
PubChem CID23677462
IUPAC Namepotassium 2-methylpropanoate
Molecular FormulaC4H7KO2
Molecular Weight126.20
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity60
SMILES
CC(C)C(=O)[O-].[K+]
InChI
InChI=1S/C4H8O2.K/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);/q;+1/p-1
InChIKey
LBOHISOWGKIIKX-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Potassium isobutyrate
CAS: 19455-20-0
CID: 23677462
Formula: C4H7KO2
MW: 126.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.20
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass126.00831095
Monoisotopic Mass126.00831095
Topological Polar Surface Area40.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity60.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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