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Ethyl potassium malonate

CAT: 0127-OR16162-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR16162-01Size:250 mg
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CAS Number
6148-64-7
Synonyms
Potassium 3-ethoxy-3-oxopropanoate
MDL Number
MFCD00035603
Purity
95%
Smiles
[K+].CCOC(=O)CC(=O)[O-]

Chemical Information

Potassium ethyl malonate
CAS Number6148-64-7
PubChem CID3446434
IUPAC Namepotassium 3-ethoxy-3-oxopropanoate
Molecular FormulaC5H7KO4
Molecular Weight170.20
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity123
SMILES
CCOC(=O)CC(=O)[O-].[K+]
InChI
InChI=1S/C5H8O4.K/c1-2-9-5(8)3-4(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1
InChIKey
WVUCPRGADMCTBN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Potassium ethyl malonate
CAS: 6148-64-7
CID: 3446434
Formula: C5H7KO4
MW: 170.20
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight170.20
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass169.99814019
Monoisotopic Mass169.99814019
Topological Polar Surface Area66.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity123
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