| CAS Number | 89539-51-5 |
| Catalog Number | AG008768(AGN-PC-00L7IK) |
| Chemical Name | 5-(Benzyloxy)-2-(hydroxymethyl)-1-methylpyridin-4(1H)-one |
| IUPAC Name | 2-(hydroxymethyl)-1-methyl-5-phenylmethoxypyridin-4-one |
| InChI | InChI=1S/C14H15NO3/c1-15-8-14(13(17)7-12(15)9-16)18-10-11-5-3-2-4-6-11/h2-8,16H,9-10H2,1H3 |
| InChI Key | GFQLQRPYXFWDLI-UHFFFAOYSA-N |
| MDL Number | MFCD22056356 |
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.2738 |
| SMILES | CN1C(CO)=CC(=O)C(OCC2=CC=CC=C2)=C1 |
| Synonyms | 89539-51-5,
5-(benzyloxy)-2-(hydroxymethyl)-1-methyl-1,4-dihydropyridin-4-one,
5-(Benzyloxy)-2-(hydroxymethyl)-1-methylpyridin-4(1H)-one,
4(1H)-Pyridinone, 2-(hydroxymethyl)-1-methyl-5-(phenylmethoxy)-,
ACMC-20lnax,
SCHEMBL13555553,
CTK2J4425,
DTXSID10523230,
ZINC74942101,
AKOS016381965,
MCULE-5089053638,
NE55333,
5-benzyloxy-2-(hydroxymethyl)-1-methylpyridin-4(1h)-one,
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| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.278g/mol |
| Monoisotopic Mass | 245.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number