| CAS Number | 57817-00-2 |
| Catalog Number | AG00ELWJ(AGN-PC-0NIBFG) |
| Chemical Name | 7-(tert-Butyl)indoline-2,3-dione |
| IUPAC Name | 7-tert-butyl-1H-indole-2,3-dione |
| InChI | InChI=1S/C12H13NO2/c1-12(2,3)8-6-4-5-7-9(8)13-11(15)10(7)14/h4-6H,1-3H3,(H,13,14,15) |
| InChI Key | PGFXVLYLDZCGJU-UHFFFAOYSA-N |
| MDL Number | MFCD20282731 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.2371 |
| SMILES | CC(C1=C2C(C(C(N2)=O)=O)=CC=C1)(C)C |
| Synonyms | 57817-00-2,
7-(tert-Butyl)indoline-2,3-dione,
1H-Indole-2,3-dione, 7-(1,1-dimethylethyl)-,
7-tert-butyl-2,3-dihydro-1H-indole-2,3-dione,
SCHEMBL712833,
CTK1F1179,
DTXSID30483509,
ZINC39198717,
AKOS013582519,
NE52416,
7-TERT-BUTYL-1H-INDOLE-2,3-DIONE,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.241g/mol |
| Monoisotopic Mass | 203.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number