| CAS Number | 591228-12-5 |
| Catalog Number | AG01AIMN(AGN-PC-0SRB4N) |
| Chemical Name | Ethyl 3-hydroxy-3-(pyridin-3-yl)propanoate |
| IUPAC Name | ethyl 3-hydroxy-3-pyridin-3-ylpropanoate |
| InChI | InChI=1S/C10H13NO3/c1-2-14-10(13)6-9(12)8-4-3-5-11-7-8/h3-5,7,9,12H,2,6H2,1H3 |
| InChI Key | YHUNNSMSEATGJD-UHFFFAOYSA-N |
| MDL Number | MFCD08442893 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CCOC(CC(C1=CN=CC=C1)O)=O |
| Synonyms | ethyl 3-hydroxy-3-(pyridin-3-yl)propanoate,
ETHYL 3-HYDROXY-3-PYRIDIN-3-YLPROPANOATE,
591228-12-5,
SCHEMBL5160706,
CTK6F8352,
AKOS000126135,
AKOS016899600,
MCULE-7300130515,
NE27251,
EN300-78375,
CID10465246,
Ethyl 3-hydroxy-3-pyridin-3-yl-propanoate,
N/A,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number