| CAS Number | 1243404-19-4 |
| Catalog Number | AG01A5DW(AGN-PC-0WOBPY) |
| Chemical Name | 2-(tert-butoxy)pyridin-3-ol |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxy]pyridin-3-ol |
| InChI | InChI=1S/C9H13NO2/c1-9(2,3)12-8-7(11)5-4-6-10-8/h4-6,11H,1-3H3 |
| InChI Key | SKXQQKOPAZBPJR-UHFFFAOYSA-N |
| MDL Number | MFCD16997038 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | CC(OC1=C(O)C=CC=N1)(C)C |
| Synonyms | 2-(tert-butoxy)pyridin-3-ol,
1243404-19-4,
ZINC95347680,
AKOS026729845,
MB22208,
NE16160,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.208g/mol |
| Monoisotopic Mass | 167.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number