| CAS Number | 1881329-80-1 |
| Catalog Number | AG00I2K2(AGN-PC-0WR8R2) |
| Chemical Name | 6-(2-tert-butylphenoxy)pyridin-3-ol |
| IUPAC Name | 6-(2-tert-butylphenoxy)pyridin-3-ol |
| InChI | InChI=1S/C15H17NO2/c1-15(2,3)12-6-4-5-7-13(12)18-14-9-8-11(17)10-16-14/h4-10,17H,1-3H3 |
| InChI Key | DXVPMUPFNBMGOA-UHFFFAOYSA-N |
| MDL Number | MFCD29044739 |
| Molecular Formula | C15H17NO2 |
| Molecular Weight | 243.3010 |
| SMILES | Oc1ccc(nc1)Oc1ccccc1C(C)(C)C |
| Synonyms | 6-(2-TERT-BUTYLPHENOXY)PYRIDIN-3-OL,
1881329-80-1,
ZINC261493575,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.306g/mol |
| Monoisotopic Mass | 243.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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