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Basic Description
| Synonyms | AKOS022505968 | .beta.-(Hydroxymethoxy) tricarballylic acid, .gamma.-lactone | UNII-99197U4E9K | EINECS 205-618-6 | ANHYDROMETHYLENECITRIC ACID | 2-(Hydroxymethoxy)-1,3-propanetricarboxylic acid, .gamma.-lactone | NSC68614 | NSC-68614 | Q27272158 | SY3510 |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C,Argon charged |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organic acids and derivatives
| 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 | 1,3-dioxolanes Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Tricarboxylic acid or derivatives - Meta-dioxolane - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic 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 |
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Names and Identifiers
| Pubchem Sid | 504751769 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751769 |
| IUPAC Name | 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid |
| INCHI | InChI=1S/C7H8O7/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7/h1-3H2,(H,8,9)(H,10,11) |
| InChIKey | PXPMCAKTYKAROX-UHFFFAOYSA-N |
| Smiles | C1OC(=O)C(O1)(CC(=O)O)CC(=O)O |
| Isomeric SMILES | C1OC(=O)C(O1)(CC(=O)O)CC(=O)O |
| Molecular Weight | 204.13 |
| Reaxy-Rn | 202620 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=202620&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2327074 |
Certificate of Analysis | Oct 16, 2023 | O339808 |
| J2327069 |
Certificate of Analysis | Oct 16, 2023 | O339808 |
| J2327073 |
Certificate of Analysis | Oct 16, 2023 | O339808 |
| J2327076 |
Certificate of Analysis | Oct 16, 2023 | O339808 |
| J2327070 |
Certificate of Analysis | Oct 16, 2023 | O339808 |
| J2327072 |
Certificate of Analysis | Oct 16, 2023 | O339808 |
Chemical and Physical Properties
| Molecular Weight | 204.130 g/mol |
|---|---|
| XLogP3 | -1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 204.027 Da |
| Monoisotopic Mass | 204.027 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| 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 |
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