| CAS Number | 2584-12-5 |
| Catalog Number | AG00BJTS(AGN-PC-00M8BZ) |
| Chemical Name | Ethyl 2-(3-hydroxypyridin-2-yl)acetate |
| IUPAC Name | ethyl 2-(3-hydroxypyridin-2-yl)acetate |
| InChI | InChI=1S/C9H11NO3/c1-2-13-9(12)6-7-8(11)4-3-5-10-7/h3-5,11H,2,6H2,1H3 |
| InChI Key | XIHFFJKZKNVQMS-UHFFFAOYSA-N |
| MDL Number | MFCD20527624 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CCOC(CC1=C(O)C=CC=N1)=O |
| Synonyms | Ethyl 2-(3-hydroxypyridin-2-yl)acetate,
2584-12-5,
SCHEMBL7010780,
MFCD20527624,
ZINC39631048,
AKOS022640792,
SB11405,
AS-51494,
CS-0056781,
2-Pyridineacetic acid, 3-hydroxy-, 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 | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number