| CAS Number | 53704-23-7 |
| Catalog Number | AG00DSO0(AGN-PC-0SFTIN) |
| Chemical Name | (2E)-2-[(2E)-2-(1,3,3-Trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]indan-1-one |
| IUPAC Name | (2E)-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one |
| InChI | InChI=1S/C22H21NO/c1-22(2)18-10-6-7-11-19(18)23(3)20(22)13-12-16-14-15-8-4-5-9-17(15)21(16)24/h4-13H,14H2,1-3H3/b16-12+,20-13+ |
| InChI Key | RMZNRQVMHQVFHH-GEEUODSKSA-N |
| MDL Number | MFCD06409584 |
| Molecular Formula | C22H21NO |
| Molecular Weight | 315.4082 |
| SMILES | CN1C2=C(C=CC=C2)C(C)(C)/C/1=CC=C1C(=O)C2=C(C=CC=C2)C1 |
| Synonyms | 53704-23-7,
(E)-2-(2-((E)-1,3,3-trimethylindolin-2-ylidene)ethylidene)-2,3-dihydro-1H-inden-1-one,
(2E)-2-[(2E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]INDAN-1-ONE,
MFCD06409584,
(E)-2-((E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene)-2,3-dihydro-1H-inden-1-one,
ZINC36294013,
AKOS000814087,
F9995-0743,
trans-2-[trans-2-(1,3,3-Trimethyl-2-indolinylidene)ethylidene]-1-indanone,
-2-[ -2- ETHYLIDENE]INDAN-1-ONE,
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| Complexity | 585 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 315.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.416g/mol |
| Monoisotopic Mass | 315.162g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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Certificate of Analysis
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