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Sodium,2-oxopentanoate

CAT: 1266-JH113636Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH113636Size:1 Each
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CAS Number
13022-83-8
Hazard Statement
Xi
Stability
Stable. Reacts exothermically with water. Incompatible with strong oxidizing agents.
Molecular Formula
C5H9NaO3
Molecular Weight
140.11
Product Name Synonym
Sodium 2-oxopentanoate
Physical Properties
GREY TO BLACK PIECES
Hazardous Class
4.3
Safety Statements
S26
Density
1.129g/cm3
Flash Point
76.6oC
RIDADR
PG3
Melting Point
42 °C (methanol)

Chemical Information

Sodium 2-oxopentanoate
CAS Number13022-83-8
PubChem CID23663652
IUPAC Namesodium 2-oxopentanoate
Molecular FormulaC5H7NaO3
Molecular Weight138.10
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity111
SMILES
CCCC(=O)C(=O)[O-].[Na+]
InChI
InChI=1S/C5H8O3.Na/c1-2-3-4(6)5(7)8;/h2-3H2,1H3,(H,7,8);/q;+1/p-1
InChIKey
PPAYYZDRYXSSMC-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 2-oxopentanoate
CAS: 13022-83-8
CID: 23663652
Formula: C5H7NaO3
MW: 138.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.10
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass138.02928836
Monoisotopic Mass138.02928836
Topological Polar Surface Area57.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity111
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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Alternative Products

CatalogName
TRC-S960240-500MGSodium 2-Oxopentanoate
FE140225-01Ethyl 2-oxopentanoate
OR1063048-01Sodium 4-benzamido-5- (dipropylamino) -5-oxopentanoate
TRC-E925807-100MGEthyl 2-Oxopentanoate-d7
VID41076-01Ethyl 2-cyclopropanecarbonyl-4-oxopentanoate
sc-263164Ethyl 2-acetyl-4-oxopentanoate
OR953120-01Methyl 4-methyl-2-oxopentanoate
NEA26443-01Ethyl 3-bromo-2-oxopentanoate
455668-01Methyl 5-Bromo-2-oxopentanoate
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