| CAS Number | 346577-65-9 |
| Catalog Number | AG019EKS(AGN-PC-0N73AJ) |
| Chemical Name | 1-benzyl-5-ethoxy-3H-indol-2-one |
| IUPAC Name | 1-benzyl-5-ethoxy-3H-indol-2-one |
| InChI | InChI=1S/C17H17NO2/c1-2-20-15-8-9-16-14(10-15)11-17(19)18(16)12-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3 |
| InChI Key | DWWBDFKXPPTLRW-UHFFFAOYSA-N |
| MDL Number | MFCD09833651 |
| Molecular Formula | C17H17NO2 |
| Molecular Weight | 267.3224 |
| SMILES | O=C1N(CC3=CC=CC=C3)C2=C(C=C(OCC)C=C2)C1 |
| Synonyms | 1-benzyl-5-ethoxy-3H-indol-2-one,
346577-65-9,
1-Benzyl-5-ethoxyindolin-2-one,
1-BENZYL-5-ETHOXY-1,3-DIHYDRO-INDOL-2-ONE,
1-Benzyl-5-ethoxyindoline-2-one,
MFCD09833651,
ZINC22011695,
AKOS027255979,
TZ000738,
CS-0037948,
CID10587902,
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| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.328g/mol |
| Monoisotopic Mass | 267.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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