| CAS Number | 63158-60-1 |
| Catalog Number | AG01DIKR(AGN-PC-00GV3P) |
| Chemical Name | ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate |
| IUPAC Name | ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate |
| InChI | InChI=1S/C15H17NO4/c1-3-19-13(17)9-11-10-7-5-6-8-12(10)16-14(11)15(18)20-4-2/h5-8,16H,3-4,9H2,1-2H3 |
| InChI Key | LMOQEQOVOXFENL-UHFFFAOYSA-N |
| MDL Number | MFCD00426373 |
| Molecular Formula | C15H17NO4 |
| Molecular Weight | 275.2998 |
| SMILES | CCOC(=O)CC1=C(NC2=C1C=CC=C2)C(=O)OCC |
| Synonyms | ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate,
63158-60-1,
SCHEMBL4266152,
LMOQEQOVOXFENL-UHFFFAOYSA-N,
Ethyl 2-Carboethoxy-3-indoleacetate,
BBL000381,
MFCD00426373,
STK330568,
ZINC18193574,
AKOS005135885,
MCULE-8536377706,
CS-0061615,
T7037,
(2-ethoxycarbonyl-indol-3-yl)-acetic acid ethyl ester,
2-(Ethoxycarbonyl)-1H-indole-3-acetic acid ethyl ester,
CID11821846,
Ethyl 3-(ethoxycarbonylmethyl)-1H-indole-2-carboxylate,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.304g/mol |
| Monoisotopic Mass | 275.116g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 68.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number