| CAS Number | 282713-15-9 |
| Catalog Number | AG00I5B7(AGN-PC-0WRA6O) |
| Chemical Name | 4-[(tert-Butoxy)methyl]phenol |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxymethyl]phenol |
| InChI | InChI=1S/C11H16O2/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7,12H,8H2,1-3H3 |
| InChI Key | ZHSLEKBHMADHDX-UHFFFAOYSA-N |
| MDL Number | MFCD23111241 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | CC(OCc1ccc(cc1)O)(C)C |
| Synonyms | 4-[(tert-Butoxy)methyl]phenol,
282713-15-9,
4-(tert-Butoxymethyl)phenol,
SCHEMBL2452819,
ZINC142186020,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.247g/mol |
| Monoisotopic Mass | 180.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number