| CAS Number | 1443987-58-3 |
| Catalog Number | AG01A5KP |
| Chemical Name | 1-ethyl-3-(hydroxyimino)-5-methyl-2,3-dihydro-1H-indol-2-one |
| IUPAC Name | 1-ethyl-5-methyl-3-nitrosoindol-2-ol |
| InChI | InChI=1S/C11H12N2O2/c1-3-13-9-5-4-7(2)6-8(9)10(12-15)11(13)14/h4-6,14H,3H2,1-2H3 |
| InChI Key | SYYAOIUTGYEIGP-UHFFFAOYSA-N |
| MDL Number | MFCD24842942 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | CCN1C2=C(C=C(C=C2)C)C(=NO)C1=O |
| Synonyms | 1-ethyl-3-(hydroxyimino)-5-methyl-2,3-dihydro-1H-indol-2-one,
1443987-58-3,
ZINC6496957,
ZINC101966762,
ZINC242495182,
NE62114,
EN300-129218,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.229g/mol |
| Monoisotopic Mass | 204.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number