| CAS Number | 378787-46-3 |
| Catalog Number | AG00I7GF(AGN-PC-0O9IX5) |
| Chemical Name | tert-butyl 3-(benzyloxy)benzoate |
| IUPAC Name | tert-butyl 3-phenylmethoxybenzoate |
| InChI | InChI=1S/C18H20O3/c1-18(2,3)21-17(19)15-10-7-11-16(12-15)20-13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3 |
| InChI Key | NRYBESIBGWDWHK-UHFFFAOYSA-N |
| MDL Number | MFCD30182396 |
| Molecular Formula | C18H20O3 |
| Molecular Weight | 284.3496 |
| SMILES | O=C(c1cccc(c1)OCc1ccccc1)OC(C)(C)C |
| Synonyms | tert-Butyl 3-(benzyloxy)benzoate,
378787-46-3,
3-(Benzyloxy)benzoic acid tert-butyl ester,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.355g/mol |
| Monoisotopic Mass | 284.141g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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