Tert-butyl 3-methylbenzoate
tert-butyl 3-methylbenzoate
Also Known As: tert-butyl 3-methylbenzoate|t-Butyl-m-methylbenzoat|tert-butyl3-methylbenzoate|Benzoic acid, 3-methyl-, 1,1-dimethylethyl ester|1,1-Dimethylethyl 3-methylbenzoate|AB6737|2-Methyl-2-propanyl 3-methylbenzoate|3-Methyl-benzoic acid tert-butyl ester|Benzoicacid, 3-methyl-, 1,1-dimethylethyl ester|3-methylbenzoic acid, [1,1-dimethylethyl] ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.11504 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Monoisotopic Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 20133-73-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC(C)(C)C |
| InChIKey | AWWFAZAXUAVMPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 3-methylbenzoate (CAS 20133-73-7), with molecular formula C12H16O2 and molecular weight 192.11504 g/mol. IUPAC: tert-butyl 3-methylbenzoate.
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