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1，2，4-Benzenetris(carboxylic acid ethyl) ester - ≥95%, high purity , CAS No.14230-18-3

COA

Grade & Purity:

≥95%

Cas Number: 14230-18-3
Molecular Weight: 294.3
PubChem CID: 613589

In stock

Item Number

B770670

Grouped product items
SKU	Size	Availability	Price
B770670-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90
B770670-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$488.90
B770670-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,698.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Tricarboxylic acids and derivatives Benzoyl derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Tricarboxylic acid or derivatives - Benzoyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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/C15H18O6/c1-4-19-13(16)10-7-8-11(14(17)20-5-2)12(9-10)15(18)21-6-3/h7-9H,4-6H2,1-3H3
InChIKey	NGXQRWJDOKUJEN-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)C(=O)OCC
Isomeric SMILES	CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)C(=O)OCC
Molecular Weight	294.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	294.300 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	294.11 Da
Monoisotopic Mass	294.11 Da
Topological Polar Surface Area	78.900 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	378.000
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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