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3-ethoxy-3-oxopropyl acrylate - ≥95%, high purity , CAS No.39181-94-7

COA

Grade & Purity:

≥95%

Cas Number: 39181-94-7
Molecular Weight: 172.1785
PubChem CID: 14496496

In stock

Item Number

E769101

Grouped product items
SKU	Size	Availability	Price	Qty
E769101-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$774.90

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 Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Dicarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	Acrylic acid esters Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acrylic acid ester - Dicarboxylic acid or derivatives - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
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/C8H12O4/c1-3-7(9)12-6-5-8(10)11-4-2/h3H,1,4-6H2,2H3
InChIKey	CNNNZKXVTFMUKF-UHFFFAOYSA-N
Smiles	CCOC(=O)CCOC(=O)C=C
Isomeric SMILES	CCOC(=O)CCOC(=O)C=C
Molecular Weight	172.1785

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	118.2 °C
Boil Point(°C)	274.6°C at 760mmHg
Molecular Weight	172.180 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	172.074 Da
Monoisotopic Mass	172.074 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174.000
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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