| CAS Number | 92287-88-2 |
| Catalog Number | AG00GVXD(AGN-PC-0WB38S) |
| Chemical Name | 3-Ethyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 3-ethyl-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C11H11NO2/c1-2-7-8-5-3-4-6-9(8)12-10(7)11(13)14/h3-6,12H,2H2,1H3,(H,13,14) |
| InChI Key | XOALTXJYIZPUCD-UHFFFAOYSA-N |
| MDL Number | MFCD09864223 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | CCc1c([nH]c2c1cccc2)C(=O)O |
| Synonyms | 3-Ethyl-1H-indole-2-carboxylic acid,
92287-88-2,
Aethylindolcarbonsaure,
1H-Indole-2-carboxylic acid, 3-ethyl-,
SCHEMBL1093663,
CTK5H1093,
DTXSID70599911,
ZX-CM002137,
FCH836454,
MFCD09864223,
ZINC19088097,
AKOS006281224,
AJ-70901,
DA-18636,
FT-0720168,
Y-5653,
3-Ethyl-1H-indole-2-carboxylic acid, AldrichCPR,
4002605-25G,
3-ETHYL-1H-INDOLE-2-CARBOXYLICACID,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.214g/mol |
| Monoisotopic Mass | 189.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number