| CAS Number | 1258652-52-6 |
| Catalog Number | AG01ABIK(AGN-PC-0WO464) |
| Chemical Name | Methyl 2-hydroxy-2-(pyridin-3-yl)acetate hydrochloride |
| IUPAC Name | methyl 2-hydroxy-2-pyridin-3-ylacetate;hydrochloride |
| InChI | InChI=1S/C8H9NO3.ClH/c1-12-8(11)7(10)6-3-2-4-9-5-6;/h2-5,7,10H,1H3;1H |
| InChI Key | AHXYZSLQVBLPED-UHFFFAOYSA-N |
| MDL Number | MFCD17977158 |
| Molecular Formula | C8H10ClNO3 |
| Molecular Weight | 203.6229 |
| SMILES | O=C(OC)C(O)C1=CC=CN=C1.[H]Cl |
| Synonyms | methyl 2-hydroxy-2-(pyridin-3-yl)acetate hydrochloride,
1258652-52-6,
AC1Q3BVB,
AKOS026727450,
MCULE-3906179104,
NE52527,
EN300-71729,
Z1250100620,
Methyl hydroxy(3-pyridinyl)acetate hydrochloride, AldrichCPR,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.622g/mol |
| Monoisotopic Mass | 203.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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