| CAS Number | 873459-50-8 |
| Catalog Number | AG01BF4J(AGN-PC-0WOV8V) |
| Chemical Name | ethyl 2-hydroxy-2-(3-methylpyridin-2-yl)acetate |
| IUPAC Name | ethyl 2-hydroxy-2-(3-methylpyridin-2-yl)acetate |
| InChI | InChI=1S/C10H13NO3/c1-3-14-10(13)9(12)8-7(2)5-4-6-11-8/h4-6,9,12H,3H2,1-2H3 |
| InChI Key | NLEDUTNHGYEROE-UHFFFAOYSA-N |
| MDL Number | MFCD27931009 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CCOC(C(C1=C(C)C=CC=N1)O)=O |
| Synonyms | ethyl 2-hydroxy-2-(3-methylpyridin-2-yl)acetate,
873459-50-8,
SCHEMBL5457864,
NLEDUTNHGYEROE-UHFFFAOYSA-N,
2-Pyridineacetic acid, alpha-hydroxy-3-methyl-, ethyl ester,
AKOS026744347,
hydroxy-(3-methyl-pyridin-2-yl)-acetic acid ethyl ester,
Z1925930257,
|
| Complexity | 196 |
| 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 | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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