| CAS Number | 1304787-76-5 |
| Catalog Number | AG00HS1T(AGN-PC-0WCVNZ) |
| Chemical Name | 1-(2-methoxyethyl)-1H-indole-5-carboxylic acid |
| IUPAC Name | 1-(2-methoxyethyl)indole-5-carboxylic acid |
| InChI | InChI=1S/C12H13NO3/c1-16-7-6-13-5-4-9-8-10(12(14)15)2-3-11(9)13/h2-5,8H,6-7H2,1H3,(H,14,15) |
| InChI Key | MNWYXWHBUCHHTF-UHFFFAOYSA-N |
| MDL Number | MFCD18873289 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | COCCN1C2=C(C=C(C(O)=O)C=C2)C=C1 |
| Synonyms | 1-(2-methoxyethyl)-1H-indole-5-carboxylic acid,
1304787-76-5,
SCHEMBL1809906,
MNWYXWHBUCHHTF-UHFFFAOYSA-N,
ALBB-028599,
BBL033027,
MFCD18873289,
STL373087,
ZINC72323960,
AKOS013061436,
MCULE-6486404147,
1-(2-Methoxy-ethyl)-1H-indole-5-carboxylic acid,
1H-indole-5-carboxylic acid, 1-(2-methoxyethyl)-,
A1-01660,
1-(2-methoxyethyl)indole-5-carboxylic acid,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number