| CAS Number | 2044704-80-3 |
| Catalog Number | AG01DTS9 |
| Chemical Name | tert-butyl 2-(hydroxymethyl)-4-methyl-1H-indole-1-carboxylate |
| IUPAC Name | tert-butyl 2-(hydroxymethyl)-4-methylindole-1-carboxylate |
| InChI | InChI=1S/C15H19NO3/c1-10-6-5-7-13-12(10)8-11(9-17)16(13)14(18)19-15(2,3)4/h5-8,17H,9H2,1-4H3 |
| InChI Key | JUBXOZZPKGYUQK-UHFFFAOYSA-N |
| MDL Number | MFCD30489087 |
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.3163 |
| SMILES | Cc1cccc2n(C(=O)OC(C)(C)C)c(CO)cc12 |
| Synonyms | tert-butyl 2-(hydroxymethyl)-4-methyl-1H-indole-1-carboxylate,
2044704-80-3,
SCHEMBL19013560,
AKOS030527454,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.321g/mol |
| Monoisotopic Mass | 261.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number