Ethyl 2-Methyl-2-(3-pyridyl)propionate - CAS 120690-70-2
Catalog: |
BB004928 |
Product Name: |
Ethyl 2-Methyl-2-(3-pyridyl)propionate |
CAS: |
120690-70-2 |
Synonyms: |
2-methyl-2-(3-pyridinyl)propanoic acid ethyl ester; ethyl 2-methyl-2-pyridin-3-ylpropanoate |
IUPAC Name: | ethyl 2-methyl-2-pyridin-3-ylpropanoate |
Description: | Ethyl 2-Methyl-2-(3-pyridyl)propionate (CAS# 120690-70-2) is a useful research chemical. |
Molecular Weight: | 193.24 |
Molecular Formula: | C11H15NO2 |
Canonical SMILES: | CCOC(=O)C(C)(C)C1=CN=CC=C1 |
InChI: | InChI=1S/C11H15NO2/c1-4-14-10(13)11(2,3)9-6-5-7-12-8-9/h5-8H,4H2,1-3H3 |
InChI Key: | HAQNTRLXFACSDY-UHFFFAOYSA-N |
LogP: | 1.92230 |
Publication Number | Title | Priority Date |
AU-2010279354-A1 | Sphingosine-1-phosphate receptor agonists | 20090807 |
CA-2770194-A1 | Sphingosine-1-phosphate receptor agonists | 20090807 |
EP-2462139-A1 | Sphingosine-1-phosphate receptor agonists | 20090807 |
EP-2462139-B1 | Sphingosine-1-phosphate receptor agonists | 20090807 |
US-2011190255-A1 | Heterocyclic compounds | 20090807 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.110278721 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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