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Oxepan-4-one - 96%, high purity , CAS No.62643-19-0

COA

Grade & Purity:

≥96%

Cas Number: 62643-19-0
Molecular Weight: 114.1
PubChem CID: 642792

In stock

Item Number

O185639

Grouped product items
SKU	Size	Availability	Price	Qty
O185639-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$335.90
O185639-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$679.90

Discover Oxepan-4-one by Aladdin Scientific in 96% for only $335.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	oxepan-4-one \| 4-oxepanone \| 62643-19-0 \| MFCD20484206 \| SCHEMBL1120977 \| DTXSID80349060 \| CTLGXFASUHKSGN-UHFFFAOYSA-N \| AKOS026729644 \| AB76453 \| AS-51482 \| SY036485 \| CS-0037287 \| FT-0722797 \| EN300-85698 \| P12770 \| InChI=1/C6H10O2/c7-6-2-1-4-8-5-3-6/h1-5H
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxepanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxepanes
Alternative Parents	Cyclic ketones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxepane - Cyclic ketone - Ketone - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six 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	oxepan-4-one
INCHI	InChI=1S/C6H10O2/c7-6-2-1-4-8-5-3-6/h1-5H2
InChIKey	CTLGXFASUHKSGN-UHFFFAOYSA-N
Smiles	C1CC(=O)CCOC1
Isomeric SMILES	C1CC(=O)CCOC1
Molecular Weight	114.1
Reaxy-Rn	106939
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106939&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	114.140 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	114.068 Da
Monoisotopic Mass	114.068 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	88.500
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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