| CAS Number | 125489-21-6 |
| Catalog Number | AG003ATO(AGN-PC-0WR8VA) |
| Chemical Name | 1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,2-ethanediol |
| IUPAC Name | 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethane-1,2-diol |
| InChI | InChI=1S/C16H26O3/c1-15(2,3)11-7-10(13(18)9-17)8-12(14(11)19)16(4,5)6/h7-8,13,17-19H,9H2,1-6H3 |
| InChI Key | GPHPOIDLODPOAP-UHFFFAOYSA-N |
| MDL Number | MFCD32206319 |
| Molecular Formula | C16H26O3 |
| Molecular Weight | 266.3758 |
| SMILES | C(C)(C)(C)C=1C=C(C=C(C1O)C(C)(C)C)C(CO)O |
| Synonyms | 1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,2-ethanediol,
125489-21-6,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.381g/mol |
| Monoisotopic Mass | 266.188g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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