Ethyl potassium malonate - CAS 6148-64-7
Catalog: |
BB031138 |
Product Name: |
Ethyl potassium malonate |
CAS: |
6148-64-7 |
Synonyms: |
potassium;3-ethoxy-3-oxopropanoate |
IUPAC Name: | potassium;3-ethoxy-3-oxopropanoate |
Description: | Ethyl potassium malonate (CAS# 6148-64-7) is a derivative of Malonate, which is a competitive inhibitor of the enzyme succinate dehydrogenase. It binds to the active site of the enzyme without reacting, and so competes with succinate, the usual substrate of the enzyme. |
Molecular Weight: | 170.20 |
Molecular Formula: | C5H7KO4 |
Canonical 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 |
InChI Key: | WVUCPRGADMCTBN-UHFFFAOYSA-M |
Boiling Point: | 237.2 °C at 760 mmHg |
MDL: | MFCD00035603 |
LogP: | -1.31050 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18047371 | 20071221 | The decarboxylative Blaise reaction | The Journal of organic chemistry |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.99814019 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.99814019 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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