Kanonisches Lächeln	COCCOCC#C
IUPAC Name	3-(2-methoxyethoxy)prop-1-yne
InChIKey	QBAUXHLFPCHTQH-UHFFFAOYSA-N
INCHI	1S/C6H10O2/c1-3-4-8-6-5-7-2/h1H,4-6H2,2H3
Isomere SMILES	COCCOCC#C
PubChem CID	15566577
Molekulargewicht	114.144

Documentation

📋 Safety Data Sheet (SDS)

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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🔬 Specification Sheet

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Klasse Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Klasse	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Dialkyl ethers
Alternative Parents	Acetylides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acetylide - Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
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-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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Chemische und physikalische Eigenschaften

Molekulargewicht	114.140 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	114.068 Da
Monoisotopic Mass	114.068 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	79.800
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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3-(2-Methoxyethoxy)prop-1-yne - ≥95% , CAS No.31995-08-1

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Specifications