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8-Oxo-8-(2-thienyl)octanoic acid , CAS No.362669-55-4
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 | C1=CSC(=C1)C(=O)CCCCCCC(=O)O |
|---|---|
| IUPAC Name | 8-oxo-8-thiophen-2-yloctanoic acid |
| InChIKey | UKIDDDWZDRLLED-UHFFFAOYSA-N |
| INCHI | 1S/C12H16O3S/c13-10(11-7-5-9-16-11)6-3-1-2-4-8-12(14)15/h5,7,9H,1-4,6,8H2,(H,14,15) |
| Isomeric SMILES | C1=CSC(=C1)C(=O)CCCCCCC(=O)O |
| PubChem CID | 11042852 |
| Molecular Weight | 240.32 |
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
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Keto acids and derivatives |
| Subclass | Medium-chain keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Medium-chain keto acids and derivatives |
| Alternative Parents | Aryl alkyl ketones Heterocyclic fatty acids Thiophenes Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Medium-chain keto acid - Aryl ketone - Aryl alkyl ketone - Heterocyclic fatty acid - Fatty acyl - Heteroaromatic compound - Thiophene - Ketone - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. |
| External Descriptors | Not available |
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 | 240.320 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 240.082 Da |
| Monoisotopic Mass | 240.082 Da |
| Topological Polar Surface Area | 82.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| 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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