| CAS Number | 17604-75-0 |
| Catalog Number | AG019EKA(AGN-PC-0QAWA1) |
| Chemical Name | ethyl hydroxy(pyridin-3-yl)acetate |
| IUPAC Name | ethyl 2-hydroxy-2-pyridin-3-ylacetate |
| InChI | InChI=1S/C9H11NO3/c1-2-13-9(12)8(11)7-4-3-5-10-6-7/h3-6,8,11H,2H2,1H3 |
| InChI Key | RPUXFKPRBIMWLC-UHFFFAOYSA-N |
| MDL Number | MFCD00022991 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CCOC(=O)C(O)C1=CN=CC=C1 |
| Synonyms | ethyl 2-hydroxy-2-(pyridin-3-yl)acetate,
17604-75-0,
ethyl hydroxy(pyridin-3-yl)acetate,
SCHEMBL10827291,
RPUXFKPRBIMWLC-UHFFFAOYSA-N,
AKOS011497096,
MCULE-7037380651,
BS-12236,
(+/-)-Ethyl hydroxy(3-pyridinyl)acetate,
CS-0044704,
3-Pyridineacetic acid, alpha-hydroxy-, ethyl ester,
Hydroxy-pyridin-3-yl-acetic acid ethyl ester,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.073893g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.19g/mol |
| Monoisotopic Mass | 181.073893g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number