| CAS Number | 1231977-28-8 |
| Catalog Number | AG00HH6Z(AGN-PC-0WR8FJ) |
| Chemical Name | 3-Pyridinol, 2-(2-methylpropoxy)- |
| IUPAC Name | 2-(2-methylpropoxy)pyridin-3-ol |
| InChI | InChI=1S/C9H13NO2/c1-7(2)6-12-9-8(11)4-3-5-10-9/h3-5,7,11H,6H2,1-2H3 |
| InChI Key | HBSCSPGBDIAGOX-UHFFFAOYSA-N |
| MDL Number | MFCD28338128 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | CC(COc1ncccc1O)C |
| Synonyms | 3-Pyridinol, 2-(2-methylpropoxy)-,
1231977-28-8,
ZINC261493688,
|
| Complexity | 128 |
| 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 | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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