Ethyl 2-(Ethylsulfonyl)acetate - CAS 29771-85-5
Catalog: |
BB020307 |
Product Name: |
Ethyl 2-(Ethylsulfonyl)acetate |
CAS: |
29771-85-5 |
Synonyms: |
2-ethylsulfonylacetic acid ethyl ester; ethyl 2-ethylsulfonylacetate |
IUPAC Name: | ethyl 2-ethylsulfonylacetate |
Description: | Ethyl 2-(Ethylsulfonyl)acetate (CAS# 29771-85-5 ) is a useful research chemical. |
Molecular Weight: | 180.22 |
Molecular Formula: | C6H12O4S |
Canonical SMILES: | CCOC(=O)CS(=O)(=O)CC |
InChI: | InChI=1S/C6H12O4S/c1-3-10-6(7)5-11(8,9)4-2/h3-5H2,1-2H3 |
InChI Key: | JEDBCOAXHKEYMF-UHFFFAOYSA-N |
LogP: | 1.06500 |
Publication Number | Title | Priority Date |
US-2021130302-A1 | Antiviral Pyrazolopyridinone Compounds | 20190926 |
WO-2021061898-A1 | Antiviral pyrazolopyridinone compounds | 20190926 |
US-2020079772-A1 | Antiviral pyridopyrazinedione compounds | 20180912 |
WO-2020053654-A1 | Antiviral pyridopyrazinedione compounds | 20180912 |
CN-112996789-A | Antiviral pyridopyrazinedione compounds | 20180912 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.04563003 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.04563003 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 68.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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