| CAS Number | 114875-62-6 |
| Catalog Number | AG0093RR(AGN-PC-0010E0) |
| Chemical Name | 5-(Diphenylmethoxy)-1-hydroxy-2-(hydroxymethyl)-1,4-dihydropyridin-4-one |
| IUPAC Name | 5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one |
| InChI | InChI=1S/C19H17NO4/c21-13-16-11-17(22)18(12-20(16)23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,19,21,23H,13H2 |
| InChI Key | MAJNKCFGFYTFIP-UHFFFAOYSA-N |
| MDL Number | MFCD27964062 |
| Molecular Formula | C19H17NO4 |
| Molecular Weight | 323.3426 |
| SMILES | OCC1N(O)C=C(OC(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)C=1 |
| Synonyms | 114875-62-6,
5-(benzhydryloxy)-1-hydroxy-2-(hydroxymethyl)pyridin-4(1H)-one,
4(1H)-Pyridinone, 5-(diphenylmethoxy)-1-hydroxy-2-(hydroxymethyl)-,
5-(Diphenylmethoxy)-1-hydroxy-2-(hydroxymethyl)-1,4-dihydropyridin-4-one,
SCHEMBL1686843,
MAJNKCFGFYTFIP-UHFFFAOYSA-N,
AKOS034087297,
ACN-048994,
1-Hydroxy-2-hydroxymethyl-5-benzhydryloxy-4-pyridone,
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| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.348g/mol |
| Monoisotopic Mass | 323.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number