| CAS Number | 132623-08-6 |
| Catalog Number | AG01DTMJ |
| Chemical Name | Ethyl 3-(2-ethoxy-2-oxoethyl)-1-methyl-1H-indole-2-carboxylate |
| IUPAC Name | ethyl 3-(2-ethoxy-2-oxoethyl)-1-methylindole-2-carboxylate |
| InChI | InChI=1S/C16H19NO4/c1-4-20-14(18)10-12-11-8-6-7-9-13(11)17(3)15(12)16(19)21-5-2/h6-9H,4-5,10H2,1-3H3 |
| InChI Key | JBMPYFWJOMTTCF-UHFFFAOYSA-N |
| MDL Number | MFCD31803182 |
| Molecular Formula | C16H19NO4 |
| Molecular Weight | 289.3264 |
| SMILES | CCOC(=O)Cc1c(C(=O)OCC)n(C)c2ccccc12 |
| Synonyms | Ethyl 3-(2-ethoxy-2-oxoethyl)-1-methyl-1H-indole-2-carboxylate,
132623-08-6,
SCHEMBL9449427,
JBMPYFWJOMTTCF-UHFFFAOYSA-N,
Ethyl 2-Carboethoxy-1-methyl-3-indoleacetate,
1-Methyl-3-(ethoxycarbonylmethyl)-1H-indole-2-carboxylic acid ethyl ester,
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| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.331g/mol |
| Monoisotopic Mass | 289.131g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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