Ethyl 4-Oxotetrahydrofuran-3-carboxylate - CAS 89898-51-1
Catalog: |
BB039685 |
Product Name: |
Ethyl 4-Oxotetrahydrofuran-3-carboxylate |
CAS: |
89898-51-1 |
Synonyms: |
4-oxo-3-oxolanecarboxylic acid ethyl ester; ethyl 4-oxooxolane-3-carboxylate |
IUPAC Name: | ethyl 4-oxooxolane-3-carboxylate |
Description: | Ethyl 4-Oxotetrahydrofuran-3-carboxylate (CAS# 89898-51-1) is a useful research chemical. |
Molecular Weight: | 158.15 |
Molecular Formula: | C7H10O4 |
Canonical SMILES: | CCOC(=O)C1COCC1=O |
InChI: | InChI=1S/C7H10O4/c1-2-11-7(9)5-3-10-4-6(5)8/h5H,2-4H2,1H3 |
InChI Key: | BNXOKRMYIMMSKY-UHFFFAOYSA-N |
LogP: | -0.23500 |
Publication Number | Title | Priority Date |
EP-3558971-A1 | Histone methyltransferase inhibitors | 20161222 |
JP-2020504716-A | Histone methyltransferase inhibitor | 20161222 |
TW-201829386-A | Histone methyltransferase inhibitor | 20161222 |
US-2018186745-A1 | Histone methyltransferase inhibitors | 20161222 |
WO-2018119208-A1 | Histone methyltransferase inhibitors | 20161222 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0579088 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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