≥99 atom% 13C,≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged,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.
Citric acid-2,4-13C2 is a labeled form of citric acid. The conjugate base of citric acid, citrate, is an intermediate in the Krebs cycle that is formed upon the condensation of oxaloacetate with acetyl CoA. Citric acid-2,4-13C2 is also a weak acid with preservative, buffering, and chelating qualities. Citric acid is found in many fruits and vegetables, especially citrus fruits. It participates in biological processes in the body, such as the citric acid cycle.
| Pubchem Sid | 504767048 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767048 |
| Canonical Smiles | C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| IUPAC Name | 2-hydroxy(1,3-13C2)propane-1,2,3-tricarboxylic acid |
| InChIKey | KRKNYBCHXYNGOX-ZDOIIHCHSA-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 |
| Isomeric SMILES | [13CH2](C(=O)O)C([13CH2]C(=O)O)(C(=O)O)O |
| Alternate CAS | 77-92-9（unlabeled） |
| Molecular Weight | 194.11 |
| 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 |
|---|---|---|---|
 C2630177 | Certificate of Analysis | Apr 29, 2024 | C339247 |
| E2429256 | Certificate of Analysis | Apr 29, 2024 | C339247 |
| E2429277 | Certificate of Analysis | Apr 29, 2024 | C339247 |
| E2429278 | Certificate of Analysis | Apr 29, 2024 | C339247 |
| E2429279 | Certificate of Analysis | Apr 29, 2024 | C339247 |
| H2206662 | Certificate of Analysis | Jul 13, 2022 | C339247 |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 153-159° C (lit.) |
| Molecular Weight | 194.110 g/mol |
| XLogP3 | -1.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 194.034 Da |
| Monoisotopic Mass | 194.034 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| Isotope Atom Count | 2 |
| 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 |
