≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
1,4-Cubanedicarboxylic acid can undergo esterification with alkylsulfuric acids. The acid and its ester derivatives are also capable of undergoing fluorination with elemental fluorine.[2] This product was previously listed as BML00135.
| Canonical Smiles | C12C3C4C1(C5C2C3(C45)C(=O)O)C(=O)O |
|---|---|
| IUPAC Name | cubane-1,4-dicarboxylic acid |
| InChIKey | JFKXMJUMOJJTCQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H8O4/c11-7(12)9-1-2-4(9)6-5(9)3(1)10(2,6)8(13)14/h1-6H,(H,11,12)(H,13,14) |
| Isomeric SMILES | C12C3C4C1(C5C2C3(C45)C(=O)O)C(=O)O |
| Alternate CAS | 32846-66-5 |
| NSC Number | 124087 |
| Molecular Weight | 192.17 |
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 | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Monoterpenoids |
| Alternative Parents | Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Monoterpenoid - Nopinane monoterpenoid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as monoterpenoids. These are compounds containing a chain of two isoprene units. |
| 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 |
|---|---|---|---|
 A2609175 | Certificate of Analysis | Nov 14, 2025 | C633616 |
| A2609176 | Certificate of Analysis | Nov 14, 2025 | C633616 |
| A2609177 | Certificate of Analysis | Nov 14, 2025 | C633616 |
| A2609178 | Certificate of Analysis | Nov 14, 2025 | C633616 |
| Melt Point(°C) | 224 °C |
|---|---|
| Molecular Weight | 192.170 g/mol |
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 192.042 Da |
| Monoisotopic Mass | 192.042 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 355.000 |
| 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 |
