| CAS Number | 1248507-45-0 |
| Catalog Number | AG01B286 |
| Chemical Name | methyl 2-(2,3-dimethylphenyl)-2-hydroxyacetate |
| IUPAC Name | methyl 2-(2,3-dimethylphenyl)-2-hydroxyacetate |
| InChI | InChI=1S/C11H14O3/c1-7-5-4-6-9(8(7)2)10(12)11(13)14-3/h4-6,10,12H,1-3H3 |
| InChI Key | DGLBUTBXIAXYDK-UHFFFAOYSA-N |
| MDL Number | MFCD16693893 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | COC(C(C1=C(C)C(C)=CC=C1)O)=O |
| Synonyms | methyl 2-(2,3-dimethylphenyl)-2-hydroxyacetate,
1248507-45-0,
AKOS011496499,
Z2509351244,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number