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3，6，9，12，15-Pentaoxabicyclo[15.3.1]heneicosa-1(21)，17，19-triene-2，16-dione - ≥95%, high purity , CAS No.65745-83-7

COA

Grade & Purity:

≥95%

Cas Number: 65745-83-7
Molecular Weight: 324.3258
MDL number: MFCD30474830
PubChem CID: 326440

In stock

Item Number

P769290

Grouped product items
SKU	Size	Availability	Price	Qty
P769290-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,160.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 Phthalate esters
        Level7 m-Phthalate esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives - Phthalate esters
Direct Parent	m-Phthalate esters
Alternative Parents	M-phthalic acid and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Meta-phthalic acid ester - Meta_phthalic_acid - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
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

INCHI	InChI=1S/C16H20O7/c17-15-13-2-1-3-14(12-13)16(18)23-11-9-21-7-5-19-4-6-20-8-10-22-15/h1-3,12H,4-11H2
InChIKey	HZYZWGYPBXBALT-UHFFFAOYSA-N
Smiles	C1COCCOC(=O)C2=CC(=CC=C2)C(=O)OCCOCCO1
Isomeric SMILES	C1COCCOC(=O)C2=CC(=CC=C2)C(=O)OCCOCCO1
Molecular Weight	324.3258

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	324.320 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	324.121 Da
Monoisotopic Mass	324.121 Da
Topological Polar Surface Area	80.300 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	339.000
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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