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Sodium 2-oxobutanoate

CAT: 0013-GTR19247861Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19247861Size:1 g
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Description
Sodium 2-oxobutanoate is an organic compound commonly used as an acidity regulator, leavening agent, and preservative, and can be used in biochemical experiments and drug synthesis research.
CAS Number
2013-26-5
Smiles
O=C (C (CC) =O) [O-].[Na+]
Molecular Formula
C4H5NaO3
Molecular Weight
124.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

butyric acid, 2-oxo-, sodium salt
CAS Number2013-26-5
PubChem CID23673454
IUPAC Namesodium 2-oxobutanoate
Molecular FormulaC4H5NaO3
Molecular Weight124.07
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity99
SMILES
CCC(=O)C(=O)[O-].[Na+]
InChI
InChI=1S/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
InChIKey
SUAMAHKUSIHRMR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of butyric acid, 2-oxo-, sodium salt
CAS: 2013-26-5
CID: 23673454
Formula: C4H5NaO3
MW: 124.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight124.07
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass124.01363830
Monoisotopic Mass124.01363830
Topological Polar Surface Area57.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity99.5
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