| Pubchem Sid | 504767010 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767010 |
| Canonical Smiles | CC(C)C(=O)O |
| IUPAC Name | 3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid |
| InChIKey | KQNPFQTWMSNSAP-WFGJKAKNSA-N |
| INCHI | 1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/i1D3,2D3 |
| Isomeric SMILES | [2H]C([2H])([2H])C(C(=O)O)C([2H])([2H])[2H] |
| Molecular Weight | 94.14 |
| Reaxy-Rn | 635770 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635770&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 | Carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acids |
| Alternative Parents | Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH. |
| 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 |
|---|---|---|---|
 B2603130 | Certificate of Analysis | Mar 02, 2026 | I303334 |
| L2110293 | Certificate of Analysis | Oct 15, 2024 | I303334 |
| L2110424 | Certificate of Analysis | Oct 15, 2024 | I303334 |
| L2110425 | Certificate of Analysis | Oct 15, 2024 | I303334 |
| Solubility | DMSO (Soluble), Methanol (Soluble) |
|---|---|
| Molecular Weight | 94.140 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 94.0901 Da |
| Monoisotopic Mass | 94.0901 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 56.600 |
| 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 |
