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Ethyl 7-acetoxycoumarin-3-carboxylate - 98%, high purity , CAS No.13209-77-3

COA

Grade & Purity:

≥98%

Cas Number: 13209-77-3
Molecular Weight: 276.24148
PubChem CID: 688600

In stock

Item Number

E293421

Grouped product items
SKU	Size	Availability	Price	Qty
E293421-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,442.90
E293421-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,942.90

Discover Ethyl 7-acetoxycoumarin-3-carboxylate by Aladdin Scientific in 98% for only $1,442.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	13209-77-3 \| Ethyl 7-acetoxycoumarin-3-carboxylate \| Ethyl 7-acetoxy-2-oxo-2H-chromene-3-carboxylate \| ethyl 7-acetyloxy-2-oxochromene-3-carboxylate \| ethyl 7-(acetyloxy)-2-oxo-2H-chromene-3-carboxylate \| 2H-1-Benzopyran-3-carboxylic acid, 7-(acetyloxy)-2-oxo-, eth
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Coumarins and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Coumarins and derivatives
Alternative Parents	1-benzopyrans Pyranones and derivatives Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - Benzopyran - 1-benzopyran - Pyranone - Dicarboxylic acid or derivatives - Pyran - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
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	ethyl 7-acetyloxy-2-oxochromene-3-carboxylate
INCHI	InChI=1S/C14H12O6/c1-3-18-13(16)11-6-9-4-5-10(19-8(2)15)7-12(9)20-14(11)17/h4-7H,3H2,1-2H3
InChIKey	SKVJGNVETVRDTL-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C)OC1=O
Isomeric SMILES	CCOC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C)OC1=O
Molecular Weight	276.24148
Reaxy-Rn	288630
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=288630&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Sensitive to humidity
Molecular Weight	276.240 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	276.063 Da
Monoisotopic Mass	276.063 Da
Topological Polar Surface Area	78.900 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	453.000
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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