| CAS Number | 263021-42-7 |
| Catalog Number | AG002SN1(AGN-PC-02R38F) |
| Chemical Name | 1-Ethyl-1H-indole-5-carboxylic acid |
| IUPAC Name | 1-ethylindole-5-carboxylic acid |
| InChI | InChI=1S/C11H11NO2/c1-2-12-6-5-8-7-9(11(13)14)3-4-10(8)12/h3-7H,2H2,1H3,(H,13,14) |
| InChI Key | CJGIYGDTQFKWED-UHFFFAOYSA-N |
| MDL Number | MFCD12198093 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | N1(CC)C=CC2C=C(C=CC=21)C(O)=O |
| Synonyms | 1-ETHYL-1H-INDOLE-5-CARBOXYLIC ACID,
263021-42-7,
1H-Indole-5-carboxylic acid, 1-ethyl-,
SCHEMBL5387474,
1-ethylindole-5-carboxylic acid,
DTXSID70604690,
CJGIYGDTQFKWED-UHFFFAOYSA-N,
ALBB-011935,
8727AD,
MFCD12198093,
ZINC20215429,
AKOS005173407,
MCULE-8078667369,
AJ-76308,
FT-0683405,
Y-7116,
I04-4003,
C11H11NO2,
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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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.214g/mol |
| Monoisotopic Mass | 189.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number