| CAS Number | 1096306-76-1 |
| Catalog Number | AG00HBJZ(AGN-PC-0WAKH6) |
| Chemical Name | 1-(2-methoxyethyl)-1H-indole-4-carboxylic acid |
| IUPAC Name | 1-(2-methoxyethyl)indole-4-carboxylic acid |
| InChI | InChI=1S/C12H13NO3/c1-16-8-7-13-6-5-9-10(12(14)15)3-2-4-11(9)13/h2-6H,7-8H2,1H3,(H,14,15) |
| InChI Key | UHQHOMJUEMAPIT-UHFFFAOYSA-N |
| MDL Number | MFCD11641383 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | COCCN1C2=C(C(C(O)=O)=CC=C2)C=C1 |
| Synonyms | 1-(2-methoxyethyl)-1H-indole-4-carboxylic acid,
1096306-76-1,
1H-Indole-4-carboxylic acid, 1-(2-methoxyethyl)-,
A1-01647,
SCHEMBL2035893,
CHEMBL3438351,
UHQHOMJUEMAPIT-UHFFFAOYSA-N,
ALBB-028596,
BB_NC-02779,
ZX-AN079412,
BBL031998,
MFCD11641383,
STL373054,
ZINC37244842,
AKOS009458559,
MCULE-5956425714,
NS-02602,
FT-0754989,
EN300-191894,
1-(2-Methoxy-ethyl)-1H-indole-4-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