| CAS Number | 383133-18-4 |
| Catalog Number | AG00I7L4(AGN-PC-0WODNE) |
| Chemical Name | 4,6,7-trimethyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 4,6,7-trimethyl-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C12H13NO2/c1-6-4-7(2)9-5-10(12(14)15)13-11(9)8(6)3/h4-5,13H,1-3H3,(H,14,15) |
| InChI Key | CDZKEBOPHBEZGX-UHFFFAOYSA-N |
| MDL Number | MFCD02664504 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.2371 |
| SMILES | CC1=C(C)C2=C(C=C(C(O)=O)N2)C(C)=C1 |
| Synonyms | 4,6,7-trimethyl-1H-indole-2-carboxylic Acid,
383133-18-4,
AC1MNXCV,
AC1Q2I8Z,
SCHEMBL3591407,
CTK7I5888,
CDZKEBOPHBEZGX-UHFFFAOYSA-N,
ZINC3748695,
BBL021426,
MFCD02664504,
STK894139,
AKOS005144189,
MCULE-8494760621,
EN300-15118,
K-8374,
Z235344341,
CID3334902,
|
| 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