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3-(2,3,4-Trimethoxyphenyl)pentanedioic acid , CAS No.948007-37-2
AVAILABLE TO ORDER
Storage
Room temperature
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Why this grade
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
Storage
Room temperature
Names and Identifiers
| Canonical Smiles | COC1=C(C(=C(C=C1)C(CC(=O)O)CC(=O)O)OC)OC |
|---|---|
| IUPAC Name | 3-(2,3,4-trimethoxyphenyl)pentanedioic acid |
| InChIKey | YOKBJZNJXHQTCG-UHFFFAOYSA-N |
| INCHI | 1S/C14H18O7/c1-19-10-5-4-9(13(20-2)14(10)21-3)8(6-11(15)16)7-12(17)18/h4-5,8H,6-7H2,1-3H3,(H,15,16)(H,17,18) |
| Isomeric SMILES | COC1=C(C(=C(C=C1)C(CC(=O)O)CC(=O)O)OC)OC |
| PubChem CID | 16767482 |
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 | 298.290 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 298.105 Da |
| Monoisotopic Mass | 298.105 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 341.000 |
| 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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