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Diethyl 1H-indole-2,3-dicarboxylate - 97%, high purity , CAS No.128942-88-1

COA

Grade & Purity:

≥97%

Cas Number: 128942-88-1
Molecular Weight: 261.27
PubChem CID: 15112403

In stock

Item Number

D190470

Grouped product items
SKU	Size	Availability	Price	Qty
D190470-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
D190470-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90

Discover Diethyl 1H-indole-2,3-dicarboxylate by Aladdin Scientific in 97% for only $11.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Diethyl 1H-indole-2,3-dicarboxylate \| 128942-88-1 \| diethyl-4-1H-indole-2,3-dicarboxylate \| diethyl-4-1H-indole-23-dicarboxylate \| 1H-Indole-2,3-dicarboxylic acid, 2,3-diethyl ester \| Diethyl1H-indole-2,3-dicarboxylate \| 2,3-diethyl 1H-indole-2,3-dicarboxylate \| 1H-Ind
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxylic acids and derivatives
Alternative Parents	Indoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid derivative - Indole - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
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	diethyl 1H-indole-2,3-dicarboxylate
INCHI	InChI=1S/C14H15NO4/c1-3-18-13(16)11-9-7-5-6-8-10(9)15-12(11)14(17)19-4-2/h5-8,15H,3-4H2,1-2H3
InChIKey	ACRLQZPDQPXNPX-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(NC2=CC=CC=C21)C(=O)OCC
Isomeric SMILES	CCOC(=O)C1=C(NC2=CC=CC=C21)C(=O)OCC
Molecular Weight	261.27
Reaxy-Rn	3554758
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3554758&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	261.269 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	261.1 Da
Monoisotopic Mass	261.1 Da
Topological Polar Surface Area	68.400 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	344.000
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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