Premium-Grade Reagents, ≥98% Premium-Grade Reagents for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,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.
| Canonical Smiles | CC(=O)OC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
|---|---|
| IUPAC Name | (3,6,7,10,11-pentaacetyloxytriphenylen-2-yl) acetate |
| InChIKey | YTKHQSUTXVUOGK-UHFFFAOYSA-N |
| INCHI | 1S/C30H24O12/c1-13(31)37-25-7-19-20(8-26(25)38-14(2)32)22-10-28(40-16(4)34)30(42-18(6)36)12-24(22)23-11-29(41-17(5)35)27(9-21(19)23)39-15(3)33/h7-12H,1-6H3 |
| Isomeric SMILES | CC(=O)OC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| PubChem CID | 11827967 |
| Molecular Weight | 576.51 |
| Reaxy-Rn | 2320327 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2320327&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 | Hexacarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hexacarboxylic acids and derivatives |
| Alternative Parents | Triphenylenes Naphthalenes Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Hexacarboxylic acid or derivatives - Triphenylene - Phenanthrene - Naphthalene - Benzenoid - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 576.500 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 12 |
| Exact Mass | 576.127 Da |
| Monoisotopic Mass | 576.127 Da |
| Topological Polar Surface Area | 158.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 869.000 |
| 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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