| CAS Number | 1353576-61-0 |
| Catalog Number | AG009W4E(AGN-PC-0WD335) |
| Chemical Name | N-(4-Methyl couMarin)palMitaMide |
| IUPAC Name | N-(4-methyl-2-oxochromen-7-yl)hexadecanamide |
| InChI | InChI=1S/C26H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(28)27-22-17-18-23-21(2)19-26(29)30-24(23)20-22/h17-20H,3-16H2,1-2H3,(H,27,28) |
| InChI Key | ITQZQRAXGGXRRH-UHFFFAOYSA-N |
| MDL Number | MFCD23115367 |
| Molecular Formula | C26H39NO3 |
| Molecular Weight | 413.5928 |
| SMILES | CCCCCCCCCCCCCCCC(NC1=CC2=C(C(C)=CC(O2)=O)C=C1)=O |
| Synonyms | 1353576-61-0,
N-(4-Methyl-2-oxo-2H-chromen-7-yl)palmitamide,
SCHEMBL14974877,
DTXSID50856776,
N-(4-methyl coumarin)palmitamide,
AKOS022172408,
ZINC100089451,
AX8259477,
Z-8451,
N-(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)hexadecanamide,
N-(4-methyl-2-oxochromen-7-yl)hexadecanamide,
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| Complexity | 542 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.293g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.602g/mol |
| Monoisotopic Mass | 413.293g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number