Ethyl 3-(2-Benzofuranyl)-3-oxopropionate - CAS 78917-44-9
Catalog: |
BB036258 |
Product Name: |
Ethyl 3-(2-Benzofuranyl)-3-oxopropionate |
CAS: |
78917-44-9 |
Synonyms: |
3-(2-benzofuranyl)-3-oxopropanoic acid ethyl ester; ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(1-benzofuran-2-yl)-3-oxopropanoate |
Description: | Ethyl 3-(2-Benzofuranyl)-3-oxopropionate (CAS# 78917-44-9) is a useful research chemical. |
Molecular Weight: | 232.23 |
Molecular Formula: | C13H12O4 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC2=CC=CC=C2O1 |
InChI: | InChI=1S/C13H12O4/c1-2-16-13(15)8-10(14)12-7-9-5-3-4-6-11(9)17-12/h3-7H,2,8H2,1H3 |
InChI Key: | DBSJYHCDGBZOEP-UHFFFAOYSA-N |
Boiling Point: | 329.8 °C at 760 mmHg |
Density: | 1.216 g/cm3 |
LogP: | 2.56870 |
Publication Number | Title | Priority Date |
US-2018170942-A1 | Polycyclic derivatives targeting ral gtpases and their therapeutical applications | 20150616 |
WO-2016205460-A1 | Polycyclic derivatives targeting ral gtpases and their therapeutical applications | 20150616 |
US-2012277224-A1 | Heterocyclic compounds for the inhibition of pask | 20110426 |
WO-2012149157-A2 | Heterocyclic compounds for the inhibition of pask | 20110426 |
US-10953012-B2 | Heterocyclic compounds for the inhibition of pask | 20110426 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.07355886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 56.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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