| CAS Number | 889945-23-7 |
| Catalog Number | AG01AF6O |
| Chemical Name | methyl 4,6-dimethyl-1H-indole-2-carboxylate |
| IUPAC Name | methyl 4,6-dimethyl-1H-indole-2-carboxylate |
| InChI | InChI=1S/C12H13NO2/c1-7-4-8(2)9-6-11(12(14)15-3)13-10(9)5-7/h4-6,13H,1-3H3 |
| InChI Key | YOPFNEMTUZIKJN-UHFFFAOYSA-N |
| MDL Number | MFCD07776838 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.2371 |
| SMILES | COC(C1NC2=C(C(=CC(=C2)C)C)C=1)=O |
| Synonyms | methyl 4,6-dimethyl-1H-indole-2-carboxylate,
889945-23-7,
CTK6I9556,
ZINC21950457,
AKOS000123979,
NE27963,
Z210689942,
4,6-DIMETHYL-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.241g/mol |
| Monoisotopic Mass | 203.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number