| CAS Number | 1353878-09-7 |
| Catalog Number | AG00IWZI(AGN-PC-0WB0R7) |
| Chemical Name | 7-Hydroxy-4-([4-(hydroxymethyl)piperidin-1-yl]methyl)-2h-chromen-2-one |
| IUPAC Name | 7-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]chromen-2-one |
| InChI | InChI=1S/C16H19NO4/c18-10-11-3-5-17(6-4-11)9-12-7-16(20)21-15-8-13(19)1-2-14(12)15/h1-2,7-8,11,18-19H,3-6,9-10H2 |
| InChI Key | JOKJIQGQZNJJBS-UHFFFAOYSA-N |
| MDL Number | MFCD20444440 |
| Molecular Formula | C16H19NO4 |
| Molecular Weight | 289.3264 |
| SMILES | O=C2(OC1(=C(C=CC(=C1)O)C(=C2)CN3(CCC(CO)CC3))) |
| Synonyms | 1353878-09-7,
7-hydroxy-4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}-2H-chromen-2-one,
7-Hydroxy-4-((4-(hydroxymethyl)piperidin-1-yl)methyl)-2H-chromen-2-one,
KS-000027IW,
MFCD20444440,
ZINC48347275,
AKOS010192154,
LF-0001,
MCULE-8913740681,
RP15776,
hydroxyhydroxymethylpiperidinylmethylchromenone,
7-hydroxy-4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}chromen-2-one,
7-Hydroxy-4-{[4-(hydroxymethyl)piperidin-1-yl]-methyl}-2H-chromen-2-one,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.331g/mol |
| Monoisotopic Mass | 289.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number