| CAS Number | 98598-96-0 |
| Catalog Number | AG0067DP(AGN-PC-008DVM) |
| Chemical Name | tert-Butyl 2-methylindole-1-carboxylate |
| IUPAC Name | tert-butyl 2-methylindole-1-carboxylate |
| InChI | InChI=1S/C14H17NO2/c1-10-9-11-7-5-6-8-12(11)15(10)13(16)17-14(2,3)4/h5-9H,1-4H3 |
| InChI Key | CMVPIVAWAQZQKP-UHFFFAOYSA-N |
| MDL Number | MFCD16036607 |
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.2903 |
| SMILES | O=C(n1c(C)cc2c1cccc2)OC(C)(C)C |
| Synonyms | 98598-96-0,
TERT-BUTYL 2-METHYL-1H-INDOLE-1-CARBOXYLATE,
Tert-butyl 2-methylindole-1-carboxylate,
1H-Indole-1-carboxylic acid, 2-methyl-, 1,1-dimethylethyl ester,
ACMC-20m2gl,
SCHEMBL5713778,
CTK3G7772,
DTXSID20464766,
CMVPIVAWAQZQKP-UHFFFAOYSA-N,
ZINC45895558,
SC-34492,
1-(tert-Butoxycarbonyl)-2-methyl-1H-indole,
CID11401996,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.295g/mol |
| Monoisotopic Mass | 231.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number