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2-[(4，4-Diethoxy-2-butyn-1-yl)oxy]tetrahydropyran - ≥95%, high purity , CAS No.99805-29-5

COA

Grade & Purity:

≥95%

Cas Number: 99805-29-5
Molecular Weight: 242.31
MDL number: MFCD23381110
PubChem CID: 13644625

In stock

Item Number

O770189

Grouped product items
SKU	Size	Availability	Price	Qty
O770189-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$124.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxanes
Alternative Parents	Oxacyclic compounds Acetals Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
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

Names and Identifiers

INCHI	InChI=1S/C13H22O4/c1-3-14-12(15-4-2)9-7-11-17-13-8-5-6-10-16-13/h12-13H,3-6,8,10-11H2,1-2H3
InChIKey	JUQGLOFZQZNAJR-UHFFFAOYSA-N
Smiles	CCOC(C#CCOC1CCCCO1)OCC
Isomeric SMILES	CCOC(C#CCOC1CCCCO1)OCC
Molecular Weight	242.31

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	242.310 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	242.152 Da
Monoisotopic Mass	242.152 Da
Topological Polar Surface Area	36.900 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	247.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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