| CAS Number | 1251222-83-9 |
| Catalog Number | AG01BJI7 |
| Chemical Name | methyl 2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate |
| IUPAC Name | methyl 2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate |
| InChI | InChI=1S/C10H11FO3/c1-6-5-7(11)3-4-8(6)9(12)10(13)14-2/h3-5,9,12H,1-2H3 |
| InChI Key | VRSFSIIONJHLPE-UHFFFAOYSA-N |
| MDL Number | MFCD16693760 |
| Molecular Formula | C10H11FO3 |
| Molecular Weight | 198.1909 |
| SMILES | COC(C(C1=C(C)C=C(F)C=C1)O)=O |
| Synonyms | methyl 2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate,
1251222-83-9,
AKOS011495700,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.193g/mol |
| Monoisotopic Mass | 198.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number