| CAS Number | 1313753-02-4 |
| Catalog Number | AG01FS37(AGN-PC-3H5POB) |
| Chemical Name | Methyl 5-acetoxy-2-methyl-1H-indole-3-carboxylate |
| IUPAC Name | methyl 5-acetyloxy-2-methyl-1H-indole-3-carboxylate |
| InChI | InChI=1S/C13H13NO4/c1-7-12(13(16)17-3)10-6-9(18-8(2)15)4-5-11(10)14-7/h4-6,14H,1-3H3 |
| InChI Key | YSDVEBGXSKCKHD-UHFFFAOYSA-N |
| Molecular Formula | C13H13NO4 |
| Molecular Weight | 247.2466 |
| SMILES | COC(=O)c1c(C)[nH]c2c1cc(cc2)OC(=O)C |
| Synonyms | Methyl 5-acetoxy-2-methyl-1H-indole-3-carboxylate,
1313753-02-4,
ZINC642880895,
AK671081,
5-Acetoxy-2-methyl-1H-indole-3-carboxylic acid methyl ester,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.084458g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.25g/mol |
| Monoisotopic Mass | 247.084458g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number