| CAS Number | 28737-29-3 |
| Catalog Number | AG00BJ36(AGN-PC-0018XL) |
| Chemical Name | 1-Ethyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 1-ethylindole-2-carboxylic acid |
| InChI | InChI=1S/C11H11NO2/c1-2-12-9-6-4-3-5-8(9)7-10(12)11(13)14/h3-7H,2H2,1H3,(H,13,14) |
| InChI Key | FPVIIOSXSGECQO-UHFFFAOYSA-N |
| MDL Number | MFCD09037005 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | CCN1C2=CC=CC=C2C=C1C(=O)O |
| Synonyms | 1-ethyl-1H-indole-2-carboxylic acid,
28737-29-3,
1H-Indole-2-carboxylic acid, 1-ethyl-,
AC1Q2ZNV,
SCHEMBL701976,
CTK6E8989,
FPVIIOSXSGECQO-UHFFFAOYSA-N,
ZINC9239702,
AKOS000262806,
MCULE-1938740161,
NE40443,
DA-42897,
FT-0710095,
EN300-52028,
J-017227,
Z752942398,
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number