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ethyl 7-oxospiro[2.5]octane-4-carboxylate - 97%, high purity , CAS No.1312536-66-5

COA

Grade & Purity:

≥97%

Cas Number: 1312536-66-5
Molecular Weight: 196.25
PubChem CID: 58456286

In stock

Item Number

E628216

Grouped product items
SKU	Size	Availability	Price
E628216-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$407.90
E628216-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$651.90
E628216-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,085.90
E628216-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,955.90

Basic Description

Synonyms	1312536-66-5 \| ethyl 7-oxospiro[2.5]octane-4-carboxylate \| ethyl 5-oxospiro[2.5]octane-8-carboxylate \| 7-oxo-Spiro[2.5]octane-4-carboxylic acid ethyl ester \| SCHEMBL2014327 \| MFCD26403228 \| AS-84487 \| ethyl7-oxospiro[2.5]octane-4-carboxylate \| FT-0756110
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acid esters
Alternative Parents	Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
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 5-oxospiro[2.5]octane-8-carboxylate
INCHI	InChI=1S/C11H16O3/c1-2-14-10(13)9-4-3-8(12)7-11(9)5-6-11/h9H,2-7H2,1H3
InChIKey	NWXYPZKLXMQQJD-UHFFFAOYSA-N
Smiles	CCOC(=O)C1CCC(=O)CC12CC2
Isomeric SMILES	CCOC(=O)C1CCC(=O)CC12CC2
PubChem CID	58456286
Molecular Weight	196.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.240 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	196.11 Da
Monoisotopic Mass	196.11 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	266.000
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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