| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM20170325-1 |
| Product Name | 3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid |
| CAS | 20170-32-5 |
| Structure |  |
| Synonyms | Fenozan acid |
| IUPAC Name | 3-(3,5-Ditert-butyl-4-hydroxyphenyl)propanoic acid |
| Molecular Weight | 278.39 |
| Molecular Formula | C17H26O3 |
| Canonical SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O |
| InChI | InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19) |
| InChIKey | WPMYUUITDBHVQZ-UHFFFAOYSA-N |
| Boiling Point | 364.3 °C at 760 mmHg (Predicted) |
| Melting Point | 172-174 °C |
| Purity | 95% |
| Density | 1.049±0.06 g/cm3 |
| Appearance | Crystalline |
| Complexity | 311 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.18819469 |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 278.18819469 |
| Physical State | Solid |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.5 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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