| Canonical Smiles | CC1(OC(=O)C(C(=O)O1)CCC(=O)OC)C |
|---|---|
| IUPAC Name | methyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate |
| InChIKey | SUGHRFBQTKIICF-UHFFFAOYSA-N |
| INCHI | 1S/C10H14O6/c1-10(2)15-8(12)6(9(13)16-10)4-5-7(11)14-3/h6H,4-5H2,1-3H3 |
| Molecular Weight | 230.210 |
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 | Ketals Fatty acid esters 1,3-dioxanes 1,3-dicarbonyl compounds Methyl esters Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Tricarboxylic acid or derivatives - Ketal - Fatty acid ester - Meta-dioxane - 1,3-dicarbonyl compound - Fatty acyl - Methyl ester - Carboxylic acid ester - Lactone - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen 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 |
| Molecular Weight | 230.210 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 230.079 Da |
| Monoisotopic Mass | 230.079 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 299.000 |
| 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 |
