| CAS Number | 739365-10-7 |
| Catalog Number | AG005IVF(AGN-PC-03YOL8) |
| Chemical Name | 1-(2-methylpropyl)-1H-indole-3-carboxylic acid |
| IUPAC Name | 1-(2-methylpropyl)indole-3-carboxylic acid |
| InChI | InChI=1S/C13H15NO2/c1-9(2)7-14-8-11(13(15)16)10-5-3-4-6-12(10)14/h3-6,8-9H,7H2,1-2H3,(H,15,16) |
| InChI Key | NIWSUEFMFADENR-UHFFFAOYSA-N |
| MDL Number | MFCD11155412 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | CC(CN1C2=C(C=CC=C2)C(C(O)=O)=C1)C |
| Synonyms | 1-(2-methylpropyl)-1H-indole-3-carboxylic acid,
739365-10-7,
1-isobutyl-1h-indole-3-carboxylic acid,
AC1Q1PLU,
SCHEMBL5069182,
CTK5D8968,
DTXSID90630532,
ZINC20074576,
AKOS000262988,
MCULE-2256866689,
NE44633,
RT-005970,
EN300-45559,
Z594413776,
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| 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
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Certificate of Analysis
Lot Number