| CAS Number | 754218-88-7 |
| Catalog Number | AG00GHS2(AGN-PC-0U78SQ) |
| Chemical Name | (2-Isopropoxypyridin-4-yl)methanol |
| IUPAC Name | (2-propan-2-yloxypyridin-4-yl)methanol |
| InChI | InChI=1S/C9H13NO2/c1-7(2)12-9-5-8(6-11)3-4-10-9/h3-5,7,11H,6H2,1-2H3 |
| InChI Key | HYBALJMVPJTQQE-UHFFFAOYSA-N |
| MDL Number | MFCD14606470 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | c1cnc(cc1CO)OC(C)C |
| Synonyms | (2-Isopropoxypyridin-4-yl)methanol,
754218-88-7,
[2-(propan-2-yloxy)pyridin-4-yl]methanol,
SCHEMBL4018741,
MFCD14606470,
ZINC39089589,
AKOS010506699,
AS-43424,
4-Pyridinemethanol,2-(1-methylethoxy)-(9CI),
4-Pyridinemethanol, 2-(1-methylethoxy)- (9CI),
|
| 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 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number