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methyl 5-oxooxane-3-carboxylate - 97%, high purity , CAS No.127956-19-8

COA

Grade & Purity:

≥97%

Cas Number: 127956-19-8
Molecular Weight: 158.15
PubChem CID: 14666567

In stock

Item Number

M628072

Grouped product items
SKU	Size	Availability	Price
M628072-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$363.90
M628072-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90
M628072-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$969.90
M628072-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,747.90

Basic Description

Synonyms	methyl 5-oxooxane-3-carboxylate \| 127956-19-8 \| SCHEMBL1564187 \| CFA95619 \| MFCD24691441 \| AKOS037644610 \| SB12342 \| AS-54079 \| methyl 3-oxotetrahydropyran-5-carboxylate \| methyl 5-oxotetrahydropyran-3-carboxylate \| CS-0048960 \| Methyl5-oxotetrahydro-2H-p
Specifications & Purity	≥97%
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	Methyl esters Cyclic ketones Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxane - Methyl ester - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - 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	methyl 5-oxooxane-3-carboxylate
INCHI	InChI=1S/C7H10O4/c1-10-7(9)5-2-6(8)4-11-3-5/h5H,2-4H2,1H3
InChIKey	AUIRKSUBTADDBW-UHFFFAOYSA-N
Smiles	COC(=O)C1CC(=O)COC1
Isomeric SMILES	COC(=O)C1CC(=O)COC1
PubChem CID	14666567
Molecular Weight	158.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	158.150 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	158.058 Da
Monoisotopic Mass	158.058 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	175.000
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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