| CAS Number | 1368950-70-2 |
| Catalog Number | AG01DVYD |
| Chemical Name | 3,4,6-trimethyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 3,4,6-trimethyl-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C12H13NO2/c1-6-4-7(2)10-8(3)11(12(14)15)13-9(10)5-6/h4-5,13H,1-3H3,(H,14,15) |
| InChI Key | AQQQJQXOHCZKFB-UHFFFAOYSA-N |
| MDL Number | MFCD21985803 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.2371 |
| SMILES | CC1C2=C(C=C(C=C2C)C)NC=1C(O)=O |
| Synonyms | SCHEMBL3604992,
AKOS022796018,
3,4,6-trimethyl-1H-indole-2-carboxylic acid,
1368950-70-2,
|
| Complexity | 266 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.241g/mol |
| Monoisotopic Mass | 203.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number