| CAS Number | 120506-48-1 |
| Catalog Number | AG01DFE5(AGN-PC-0PESKP) |
| Chemical Name | 6-tert-butyl 2-ethyl 3H,6H,7H,8H-pyrrolo[3,2-e]indole-2,6-dicarboxylate |
| IUPAC Name | 6-O-tert-butyl 2-O-ethyl 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate |
| InChI | InChI=1S/C18H22N2O4/c1-5-23-16(21)14-10-12-11-8-9-20(17(22)24-18(2,3)4)15(11)7-6-13(12)19-14/h6-7,10,19H,5,8-9H2,1-4H3 |
| InChI Key | JKZJSNHADYUUSW-UHFFFAOYSA-N |
| MDL Number | MFCD30472010 |
| Molecular Formula | C18H22N2O4 |
| Molecular Weight | 330.3783 |
| SMILES | CCOC(=O)c1cc2c3CCN(C(=O)OC(C)(C)C)c3ccc2[nH]1 |
| Synonyms | 120506-48-1,
6-tert-Butyl 2-ethyl 7,8-dihydropyrrolo[3,2-e]indole-2,6(3H)-dicarboxylate,
MFCD30472010,
ZINC498050512,
6-t-Butyl 2-ethyl 7,8-dihydropyrrolo[3,2-e]indole-2,6(3H)-dicarboxylate,
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| Complexity | 502 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.384g/mol |
| Monoisotopic Mass | 330.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number