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3-Methyl-1，4-Dioxane-2，5-Dione - ≥97%, high purity , CAS No.57321-93-4

COA

Grade & Purity:

≥97%

Cas Number: 57321-93-4
PubChem CID: 10290813

In stock

Item Number

M770884

Grouped product items
SKU	Size	Availability	Price	Qty
M770884-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,080.90
M770884-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,371.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dioxanes
    - Subclass 1,4-dioxanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dioxanes
Subclass	1,4-dioxanes
Intermediate Tree Nodes	Not available
Direct Parent	1,4-dioxanes
Alternative Parents	Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Dicarboxylic acid or derivatives - Para-dioxane - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - 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 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
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	3-methyl-1,4-dioxane-2,5-dione
INCHI	InChI=1S/C5H6O4/c1-3-5(7)8-2-4(6)9-3/h3H,2H2,1H3
InChIKey	MVXNGTMKSZHHCO-UHFFFAOYSA-N
Smiles	CC1C(=O)OCC(=O)O1
Isomeric SMILES	CC1C(=O)OCC(=O)O1
Alternate CAS	57321-93-4
PubChem CID	10290813

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	130.100 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	130.027 Da
Monoisotopic Mass	130.027 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	151.000
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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