| CAS Number | 1007455-35-7 |
| Catalog Number | AG01DMCY |
| Chemical Name | 5'-METHOXYSPIRO[CYCLOPROPANE-1,1'-ISOINDOLIN]-3'-ONE |
| IUPAC Name | 6-methoxyspiro[2H-isoindole-3,1'-cyclopropane]-1-one |
| InChI | InChI=1S/C11H11NO2/c1-14-7-2-3-9-8(6-7)10(13)12-11(9)4-5-11/h2-3,6H,4-5H2,1H3,(H,12,13) |
| InChI Key | NBUXTTUPUBRZOV-UHFFFAOYSA-N |
| MDL Number | MFCD24566476 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | COc1ccc2c(c1)C(=O)NC12CC1 |
| Synonyms | 5'-METHOXYSPIRO[CYCLOPROPANE-1,1'-ISOINDOLIN]-3'-ONE,
1007455-35-7,
AKOS023809916,
CS-0058520,
5-Methoxyspiro[isoindoline-1,1'-cyclopropane]-3-one,
5'-methoxy-spiro[cyclopropane-11'-isoindol]-3'(2'H)-one,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.214g/mol |
| Monoisotopic Mass | 189.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number