Ethyl 2-Ethyl-3-(2-furanyl)-3-oxopropanoate - CAS 100059-37-8
Catalog: |
BB000054 |
Product Name: |
Ethyl 2-Ethyl-3-(2-furanyl)-3-oxopropanoate |
CAS: |
100059-37-8 |
Synonyms: |
2-[2-furanyl(oxo)methyl]butanoic acid ethyl ester; ethyl 2-(furan-2-carbonyl)butanoate |
IUPAC Name: | ethyl 2-(furan-2-carbonyl)butanoate |
Description: | Ethyl 2-Ethyl-3-(2-furanyl)-3-oxopropanoate (CAS# 100059-37-8 ) is a useful research chemical. |
Molecular Weight: | 210.23 |
Molecular Formula: | C11H14O4 |
Canonical SMILES: | CCC(C(=O)C1=CC=CO1)C(=O)OCC |
InChI: | InChI=1S/C11H14O4/c1-3-8(11(13)14-4-2)10(12)9-6-5-7-15-9/h5-8H,3-4H2,1-2H3 |
InChI Key: | ZIAODGLNLYZGFN-UHFFFAOYSA-N |
LogP: | 2.05160 |
Publication Number | Title | Priority Date |
EP-2970307-B1 | Pyrazolo compounds and uses thereof | 20130313 |
US-10035801-B2 | Pyrazolo compounds and uses thereof | 20130313 |
US-2014275092-A1 | Pyrazolo compounds and uses thereof | 20130313 |
US-2016060267-A1 | Pyrazolo compounds and uses thereof | 20130313 |
WO-2014139326-A1 | Pyrazolo compounds and uses thereof | 20130313 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.08920892 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 56.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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