| CAS Number | 860411-74-1 |
| Catalog Number | AG01DKLK(AGN-PC-0WCYEX) |
| Chemical Name | 2-(Hydroxymethyl)Pyridin-4-Ol |
| IUPAC Name | 2-(hydroxymethyl)-1H-pyridin-4-one |
| InChI | InChI=1S/C6H7NO2/c8-4-5-3-6(9)1-2-7-5/h1-3,8H,4H2,(H,7,9) |
| InChI Key | KRLRNVJRPOTLJX-UHFFFAOYSA-N |
| MDL Number | MFCD13175434 |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.1253 |
| SMILES | OCC1=NC=CC(O)=C1 |
| Synonyms | 2-(hydroxymethyl)pyridin-4-ol,
860411-74-1,
2-(Hydroxymethyl)pyridin-4(1H)-one,
933030-89-8,
2-Pyridinemethanol, 4-hydroxy-,
(4-HYDROXYPYRIDIN-2-YL)METHANOL,
4(1H)-Pyridinone, 2-(hydroxymethyl)-,
2-(HYDROXYMETHYL)-4(1H)-PYRIDINONE,
4-Hydroxypyridine-2-methanol,
2-Pyridinemethanol, 4-hydroxy,
SCHEMBL5114727,
SCHEMBL8133124,
FCH961859,
ZINC35245819,
AKOS006378845,
AX8263926,
2-(HYDROXYMETHYL)-1H-PYRIDIN-4-ONE,
AM20061554,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.127g/mol |
| Monoisotopic Mass | 125.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number