Methyl 3-sulfolene-3-carboxylate - CAS 67488-50-0
Catalog: |
BB033293 |
Product Name: |
Methyl 3-sulfolene-3-carboxylate |
CAS: |
67488-50-0 |
Synonyms: |
methyl 1,1-dioxo-2,5-dihydrothiophene-3-carboxylate |
IUPAC Name: | methyl 1,1-dioxo-2,5-dihydrothiophene-3-carboxylate |
Description: | Methyl 3-sulfolene-3-carboxylate (CAS# 67488-50-0) is a useful reactant for the synthesis of bicyclic and tricyclic compounds. |
Molecular Weight: | 176.19 |
Molecular Formula: | C6H8O4S |
Canonical SMILES: | COC(=O)C1=CCS(=O)(=O)C1 |
InChI: | InChI=1S/C6H8O4S/c1-10-6(7)5-2-3-11(8,9)4-5/h2H,3-4H2,1H3 |
InChI Key: | YHHZABJZHHCDNW-UHFFFAOYSA-N |
Boiling Point: | 360.8 °C at 760 mmHg |
Density: | 1.418 g/cm3 |
Appearance: | Light yellow crystalline |
MDL: | MFCD00042754 |
LogP: | 0.59500 |
Publication Number | Title | Priority Date |
CN-111276738-A | Asymmetric solid electrolyte, preparation method thereof and application thereof in high-voltage solid-state battery | 20181205 |
CN-111276738-B | Asymmetric solid electrolyte, preparation method thereof and application thereof in high-voltage solid-state battery | 20181205 |
KR-101952428-B1 | Electrolyte and lithium secondary battery comprising the same | 20130131 |
KR-20140098647-A | Electrolyte and lithium secondary battery comprising the same | 20130131 |
JP-2014127286-A | Organic electroluminescence device | 20121226 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.01432991 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.01432991 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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