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(Z)-4-(Tetrahydro-2H-pyran-2-yl-oxy)but-2-en-1-ol - ≥97%, high purity , CAS No.57323-06-5

COA

Grade & Purity:

≥97%

Cas Number: 57323-06-5
PubChem CID: 10975949

In stock

Item Number

B692849

Grouped product items
SKU	Size	Availability	Price	Qty
B692849-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,612.90

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 Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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

IUPAC Name	(Z)-4-(oxan-2-yloxy)but-2-en-1-ol
INCHI	InChI=1S/C9H16O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9-10H,1,3,5-8H2/b4-2-
InChIKey	XHTUEXKSLOJOOC-RQOWECAXSA-N
Smiles	C1CCOC(C1)OCC=CCO
Isomeric SMILES	C1CCOC(C1)OC/C=C\CO
PubChem CID	10975949

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.220 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	172.11 Da
Monoisotopic Mass	172.11 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	134.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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