| CAS Number | 12236-29-2 |
| Catalog Number | AG009B83 |
| Chemical Name | DisperseYellow39 |
| EC Number | 602-641-7 |
| IUPAC Name | 2-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-3-one |
| InChI | InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-16-17(20)14-5-3-4-6-15(14)18-16/h3-11,18H,1-2H3 |
| InChI Key | QHKZIUJTLUGSEX-UHFFFAOYSA-N |
| MDL Number | MFCD17214348 |
| Molecular Formula | C17H16N2O |
| Molecular Weight | 264.3217 |
| SMILES | CN(C1=CC=C(\C=C\2/NC3=CC=CC=C3C2=O)C=C1)C |
| Synonyms | Disperse Yellow 39,
AC1NCRUT,
12236-29-2,
SCHEMBL5695407,
MCULE-6214705163,
2-(p-dimethylaminobenzylidene)-3-oxo-2,3-dihydroindole,
2-[(4-dimethylaminophenyl)methylidene]-1H-indol-3-one,
2-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-3-one,
disperseyellow39,
ZINC00043167,
CID4516371,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.328g/mol |
| Monoisotopic Mass | 264.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number