| CAS Number | 1036442-64-4 |
| Catalog Number | AG01AAEP |
| Chemical Name | 1-(2-methoxyethyl)-2,3-dimethyl-1H-indole-5-carboxylic acid |
| IUPAC Name | 1-(2-methoxyethyl)-2,3-dimethylindole-5-carboxylic acid |
| InChI | InChI=1S/C14H17NO3/c1-9-10(2)15(6-7-18-3)13-5-4-11(14(16)17)8-12(9)13/h4-5,8H,6-7H2,1-3H3,(H,16,17) |
| InChI Key | BXMKYPCVOMFBEI-UHFFFAOYSA-N |
| MDL Number | MFCD11522243 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | COCCN1C2=C(C=C(C(O)=O)C=C2)C(C)=C1C |
| Synonyms | 1-(2-methoxyethyl)-2,3-dimethyl-1H-indole-5-carboxylic acid,
1036442-64-4,
AC1Q4G04,
ZINC21803184,
AKOS009226819,
MCULE-6896354748,
NE27253,
EN300-68392,
Z1259273194,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number