| CAS Number | 1245563-21-6 |
| Catalog Number | AG000M7F(AGN-PC-0WA74L) |
| Chemical Name | 2-Tert-butyl-3-hydroxy-4-methoxyisoindolin-1-one |
| IUPAC Name | 2-tert-butyl-3-hydroxy-4-methoxy-3H-isoindol-1-one |
| InChI | InChI=1S/C13H17NO3/c1-13(2,3)14-11(15)8-6-5-7-9(17-4)10(8)12(14)16/h5-7,12,16H,1-4H3 |
| InChI Key | HMCZLBSINNXAJN-UHFFFAOYSA-N |
| MDL Number | MFCD17015787 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | COc1cccc2c1C(O)N(C2=O)C(C)(C)C |
| Synonyms | 1245563-21-6,
2-TERT-BUTYL-3-HYDROXY-4-METHOXYISOINDOLIN-1-ONE,
2-(tert-Butyl)-3-hydroxy-4-methoxyisoindolin-1-one,
ACMC-209asm,
CTK4B3983,
DTXSID10682053,
ANW-18260,
MFCD17015787,
AKOS015838022,
TR-035062,
Z8800,
B-2524,
I10-900,
2-tert-Butyl-3-hydroxy-4-methoxy-2,3-dihydro-1H-isoindol-1-one,
1H-Isoindol-1-one, 2-(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-4-methoxy-,
C13H17NO3,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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