≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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.
| Sourires canoniques | C1=CC(=CC=C1C(=O)O)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)O |
|---|---|
| IUPAC Name | 4-[2-(4-carboxybenzoyl)oxyethoxycarbonyl]benzoic acid |
| InChIKey | WFBOYZZQPYDMKX-UHFFFAOYSA-N |
| INCHI | 1S/C18H14O8/c19-15(20)11-1-5-13(6-2-11)17(23)25-9-10-26-18(24)14-7-3-12(4-8-14)16(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22) |
| Isomères SMILES | C1=CC(=CC=C1C(=O)O)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)O |
| Poids moléculaire | 358.30 |
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 | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Phthalic acid and derivatives - Phthalate esters |
| Direct Parent | p-Phthalate esters |
| Alternative Parents | P-phthalic acid and derivatives Benzoic acid esters Benzoic acids Benzoyl derivatives Carboxylic acid esters Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoic acid - Benzoyl - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton. |
| External Descriptors | Not available |
| Poids moléculaire | 358.300 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 358.069 Da |
| Monoisotopic Mass | 358.069 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 479.000 |
| 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 |
