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5,5'-(Ethane-1,2-diyl)diisophthalic acid - ≥98% , CAS No.1774401-34-1
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
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Why this grade
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
| Canonical Smiles | C1=C(C=C(C=C1C(=O)O)C(=O)O)CCC2=CC(=CC(=C2)C(=O)O)C(=O)O |
|---|---|
| IUPAC Name | 5-[2-(3,5-dicarboxyphenyl)ethyl]benzene-1,3-dicarboxylic acid |
| InChIKey | OPVGPUMQLUVBQF-UHFFFAOYSA-N |
| INCHI | 1S/C18H14O8/c19-15(20)11-3-9(4-12(7-11)16(21)22)1-2-10-5-13(17(23)24)8-14(6-10)18(25)26/h3-8H,1-2H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26) |
| Isomeric SMILES | C1=C(C=C(C=C1C(=O)O)C(=O)O)CCC2=CC(=CC(=C2)C(=O)O)C(=O)O |
| PubChem CID | 118103010 |
| Molecular Weight | 358.3 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 358.300 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 358.069 Da |
| Monoisotopic Mass | 358.069 Da |
| Topological Polar Surface Area | 149.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 478.000 |
| 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 |
Solution Calculators
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