≥99 atom% 13C,≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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 | C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | 2-hydroxy(1,2,3-13C3)propane-1,2,3-tricarboxylic acid |
| InChIKey | KRKNYBCHXYNGOX-IDEBNGHGSA-N |
| INCHI | 1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1+1,2+1,3+1,4+1,5+1,6+1 |
| Isomeric SMILES | [13CH2]([13C](=O)O)[13C]([13CH2][13C](=O)O)([13C](=O)O)O |
| Alternate CAS | 77-92-9(Unlabeled) |
| Molecular Weight | 198.08 |
| Reaxy-Rn | 782061 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=782061&ln= |
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 →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tricarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tricarboxylic acids and derivatives |
| Alternative Parents | Alpha hydroxy acids and derivatives Tertiary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Tricarboxylic acid or derivatives - Hydroxy acid - Alpha-hydroxy acid - Tertiary alcohol - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2622167 | Certificate of Analysis | Apr 15, 2026 | C474032 |
| A2616351 | Certificate of Analysis | Jan 09, 2026 | C474032 |
| A2616352 | Certificate of Analysis | Jan 09, 2026 | C474032 |
| C2427106 | Certificate of Analysis | Mar 18, 2024 | C474032 |
| Sensitivity | Light sensitive；Moisture sensitive |
|---|---|
| Flash Point(°F) | Not applicable |
| Flash Point(°C) | Not applicable |
| Melt Point(°C) | 153-159℃ (lit.) |
| Molecular Weight | 198.080 g/mol |
| XLogP3 | -1.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 198.047 Da |
| Monoisotopic Mass | 198.047 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| Isotope Atom Count | 6 |
| 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 |
