| CAS Number | 402592-20-5 |
| Catalog Number | AG00I7WD(AGN-PC-0OA0A2) |
| Chemical Name | 3-[(tert-Butoxy)methyl]phenol |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxymethyl]phenol |
| InChI | InChI=1S/C11H16O2/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7,12H,8H2,1-3H3 |
| InChI Key | SCXJYWWBWGXPDN-UHFFFAOYSA-N |
| MDL Number | MFCD24726486 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | Oc1cccc(c1)COC(C)(C)C |
| Synonyms | 3-[(tert-Butoxy)methyl]phenol,
402592-20-5,
SCHEMBL19240343,
ZINC219145496,
3-(tert-butoxymethyl)phenol,
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| Complexity | 149 |
| 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 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number