Ethyl 3-(3-Pyridyl)propanoate - CAS 64107-54-6
Catalog: |
BB032370 |
Product Name: |
Ethyl 3-(3-Pyridyl)propanoate |
CAS: |
64107-54-6 |
Synonyms: |
3-(3-pyridinyl)propanoic acid ethyl ester; ethyl 3-pyridin-3-ylpropanoate |
IUPAC Name: | ethyl 3-pyridin-3-ylpropanoate |
Description: | Ethyl 3-(3-Pyridyl)propanoate (CAS# 64107-54-6 ) is a useful research chemical. |
Molecular Weight: | 179.22 |
Molecular Formula: | C10H13NO2 |
Canonical SMILES: | CCOC(=O)CCC1=CN=CC=C1 |
InChI: | InChI=1S/C10H13NO2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9/h3-4,7-8H,2,5-6H2,1H3 |
InChI Key: | GXWQBFURCBCQJW-UHFFFAOYSA-N |
LogP: | 1.57730 |
Publication Number | Title | Priority Date |
EP-2683704-B1 | Branched oxathiazine derivatives, method for the production thereof, use thereof as medicine and drug containing said derivatives and use thereof | 20110308 |
JP-2012504141-A | Prostaglandin D2 receptor tricyclic antagonist | 20080929 |
AU-2004308932-A1 | Aryl sulfonamide compounds and uses related thereto | 20031222 |
CA-2548309-A1 | Aryl sulfonamide compounds and uses related thereto | 20031222 |
EP-1703908-A1 | Aryl sulfonamide compounds and uses related thereto | 20031222 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.094628657 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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