| CAS Number | 1096867-62-7 |
| Catalog Number | AG01BF78 |
| Chemical Name | 1-(2-methylpropyl)-1H-indole-4-carboxylic acid |
| IUPAC Name | 1-(2-methylpropyl)indole-4-carboxylic acid |
| InChI | InChI=1S/C13H15NO2/c1-9(2)8-14-7-6-10-11(13(15)16)4-3-5-12(10)14/h3-7,9H,8H2,1-2H3,(H,15,16) |
| InChI Key | GLMPHWJHKVSQNE-UHFFFAOYSA-N |
| MDL Number | MFCD11641386 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | CC(CN1C2=C(C(C(O)=O)=CC=C2)C=C1)C |
| Synonyms | 1-(2-methylpropyl)-1H-indole-4-carboxylic acid,
1096867-62-7,
ZINC37244858,
AKOS009459087,
NE26387,
Z1888411182,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.268g/mol |
| Monoisotopic Mass | 217.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number