Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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=CC=C1C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2C)C(=O)O |
|---|---|
| IUPAC Name | (2S,3S)-2,3-bis[(2-methylbenzoyl)oxy]butanedioic acid |
| InChIKey | DBFHECNVJVVMCR-HOTGVXAUSA-N |
| INCHI | 1S/C20H18O8/c1-11-7-3-5-9-13(11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-10-6-4-8-12(14)2/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m0/s1 |
| Isomeric SMILES | CC1=CC=CC=C1C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=CC=C2C)C(=O)O |
| PubChem CID | 68944866 |
| Molecular Weight | 386.4 |
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 | 386.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 386.1 Da |
| Monoisotopic Mass | 386.1 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 549.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |