Diethyl acetylsuccinate - CAS 1115-30-6
Catalog: |
BB002775 |
Product Name: |
Diethyl acetylsuccinate |
CAS: |
1115-30-6 |
Synonyms: |
diethyl 2-acetylbutanedioate |
IUPAC Name: | diethyl 2-acetylbutanedioate |
Description: | Diethyl 2-Acetylsuccinate functions as a reagent in the synthesis of Coumarin and Coumarin-3-acetic acid derivatives that exhibites antimicrobial activities against variety of gram positive and gram negative bacteria. |
Molecular Weight: | 216.23 |
Molecular Formula: | C10H16O5 |
Canonical SMILES: | CCOC(=O)CC(C(=O)C)C(=O)OCC |
InChI: | InChI=1S/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3 |
InChI Key: | DVSDDICSXBCMQJ-UHFFFAOYSA-N |
Boiling Point: | 180-183 °C / 50 mmHg |
Melting Point: | -8 °C |
Purity: | 95 % |
Density: | 1.081 g/cm3 |
Appearance: | Clear slightly yellow liquid |
MDL: | MFCD00009157 |
LogP: | 0.70790 |
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PMID | Publication Date | Title | Journal |
15366843 | 20040922 | Degradation of malathion, in aqueous extracts of asparagus (Asparagus officinalis) | Journal of agricultural and food chemistry |
12243761 | 20020901 | Behavioral evidence supporting a differential role for spinal group I and II metabotropic glutamate receptors in inflammatory hyperalgesia in sheep | Neuropharmacology |
8719808 | 19951201 | [3H]-L-2-amino-4-phosphonobutyrate labels a metabotropic glutamate receptor, mGluR4a | British journal of pharmacology |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.09977361 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.09977361 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 69.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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