| CAS Number | 1956322-70-5 |
| Catalog Number | AG01DTWL(AGN-PC-3H45CN) |
| Chemical Name | 3-(Tetrahydro-2H-pyran-4-yl)indolin-2-one |
| IUPAC Name | 3-(oxan-4-yl)-1,3-dihydroindol-2-one |
| InChI | InChI=1S/C13H15NO2/c15-13-12(9-5-7-16-8-6-9)10-3-1-2-4-11(10)14-13/h1-4,9,12H,5-8H2,(H,14,15) |
| InChI Key | KVNZNWUQHBSHHS-UHFFFAOYSA-N |
| MDL Number | MFCD28991819 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | O=C1Nc2ccccc2C1C1CCOCC1 |
| Synonyms | 3-(Tetrahydro-2H-pyran-4-yl)indolin-2-one,
1956322-70-5,
MFCD28991819,
AKOS027256381,
CS-0040026,
2H-Indol-2-one, 1,3-dihydro-3-(tetrahydro-2H-pyran-4-yl)-,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.268g/mol |
| Monoisotopic Mass | 217.11g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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