| CAS Number | 57901-08-3 |
| Catalog Number | AG01EHAK(AGN-PC-00NJYM) |
| Chemical Name | Methyl 3-(1-methylindol-3-YL)propanoate |
| IUPAC Name | methyl 3-(1-methylindol-3-yl)propanoate |
| InChI | InChI=1S/C13H15NO2/c1-14-9-10(7-8-13(15)16-2)11-5-3-4-6-12(11)14/h3-6,9H,7-8H2,1-2H3 |
| InChI Key | RAKFIKINPGETBX-UHFFFAOYSA-N |
| MDL Number | MFCD28009791 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | COC(=O)CCc1cn(c2c1cccc2)C |
| Synonyms | methyl 3-(1-methyl-1H-indol-3-yl)propanoate,
METHYL 3-(1-METHYLINDOL-3-YL)PROPANOATE,
57901-08-3,
SCHEMBL1224223,
RAKFIKINPGETBX-UHFFFAOYSA-N,
ZINC34122751,
AKOS033310459,
methyl 3-(1-methyl-3-indolyl)propionate,
1-methylindole-3-propionic acid methyl ester,
1-Methyl-1H-indole-3-propionic acid methyl ester,
3-(1-methyl-1H-indol-3-yl)-propionic acid methyl ester,
Z1397148112,
N/A,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.268g/mol |
| Monoisotopic Mass | 217.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number