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Ethyl 3-oxa-bicyclo[3.1.0]hexane-6-carboxylate - ≥95%, high purity , CAS No.335599-07-0

COA

Grade & Purity:

≥95%

Cas Number: 335599-07-0
Molecular Weight: 156.18
PubChem CID: 12872348

In stock

Item Number

E727167

Grouped product items
SKU	Size	Availability	Price
E727167-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90
E727167-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$247.90
E727167-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$899.90

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	Cyclopropanecarboxylic acids and derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Oxane - Cyclopropanecarboxylic acid or derivatives - Oxolane - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic 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	ethyl 3-oxabicyclo[3.1.0]hexane-6-carboxylate
INCHI	InChI=1S/C8H12O3/c1-2-11-8(9)7-5-3-10-4-6(5)7/h5-7H,2-4H2,1H3
InChIKey	XAESUVRCRNJFDR-UHFFFAOYSA-N
Smiles	CCOC(=O)C1C2C1COC2
Isomeric SMILES	CCOC(=O)C1C2C1COC2
Molecular Weight	156.18
Reaxy-Rn	4974840
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4974840&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	156.180 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	156.079 Da
Monoisotopic Mass	156.079 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	168.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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