Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC(=C(C=C1)N(C)C(C)C)C(=O)O |
|---|---|
| IUPAC Name | 5-methyl-2-[methyl(propan-2-yl)amino]benzoic acid |
| InChIKey | FLHLMNOUCGTSDJ-UHFFFAOYSA-N |
| INCHI | 1S/C12H17NO2/c1-8(2)13(4)11-6-5-9(3)7-10(11)12(14)15/h5-8H,1-4H3,(H,14,15) |
| Isomeric SMILES | CC1=CC(=C(C=C1)N(C)C(C)C)C(=O)O |
| PubChem CID | 54594933 |
| Molecular Weight | 207.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Molecular Weight | 207.270 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 207.126 Da |
| Monoisotopic Mass | 207.126 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 228.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |