| CAS Number | 1514562-86-7 |
| Catalog Number | AG01BBEB |
| Chemical Name | [4-(propan-2-yloxy)pyridin-3-yl]methanol |
| IUPAC Name | (4-propan-2-yloxypyridin-3-yl)methanol |
| InChI | InChI=1S/C9H13NO2/c1-7(2)12-9-3-4-10-5-8(9)6-11/h3-5,7,11H,6H2,1-2H3 |
| InChI Key | WKUDMEBTJFWNOZ-UHFFFAOYSA-N |
| MDL Number | MFCD24073762 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | CC(OC1=C(CO)C=NC=C1)C |
| Synonyms | [4-(propan-2-yloxy)pyridin-3-yl]methanol,
1514562-86-7,
ZINC88110448,
AKOS019811166,
Z2130657289,
|
| 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 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number