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5-(1,3-Dioxolan-2-YL)-2-thienyl propyl ketone , CAS No.898771-84-1

5-(1,3-Dioxolan-2-YL)-2-thienyl propyl ketone , CAS No.898771-84-1

Name: 5-(1,3-Dioxolan-2-YL)-2-thienyl propyl ketone , CAS No.898771-84-1
Brand: Aladdin Scientific
SKU: D1270627
Availability: InStock

CAS: 898771-84-1 Cat. No.: D1270627 Molecular Weight: 226.29 PubChem CID: 24723433

COA

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Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Storage

Room temperature

Shipped In

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Names and Identifiers

Canonical Smiles	CCCC(=O)C1=CC=C(S1)C2OCCO2
IUPAC Name	1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]butan-1-one
InChIKey	RBWKNKSXJTYANB-UHFFFAOYSA-N
INCHI	1S/C11H14O3S/c1-2-3-8(12)9-4-5-10(15-9)11-13-6-7-14-11/h4-5,11H,2-3,6-7H2,1H3
Isomeric SMILES	CCCC(=O)C1=CC=C(S1)C2OCCO2
PubChem CID	24723433
Molecular Weight	226.29

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Aryl alkyl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones
Direct Parent	Aryl alkyl ketones
Alternative Parents	2,5-disubstituted thiophenes Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxide - Hydrocarbon derivative - Aldehyde - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	226.290 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	226.066 Da
Monoisotopic Mass	226.066 Da
Topological Polar Surface Area	63.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	226.000
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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