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Methyl 3-cyanoindole-4-carboxylate - 98%, high purity , CAS No.939793-19-8

COA

Grade & Purity:

≥98%

Cas Number: 939793-19-8
Molecular Weight: 200.2
PubChem CID: 26370479

In stock

Item Number

M188432

Grouped product items
SKU	Size	Availability	Price	Qty
M188432-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
M188432-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$609.90

Discover Methyl 3-cyanoindole-4-carboxylate by Aladdin Scientific in 98% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl 3-cyanoindole-4-carboxylate \| 939793-19-8 \| Methyl 3-cyano-1H-indole-4-carboxylate \| 3-Cyano-1H-indole-4-carboxylic acid methyl ester \| SCHEMBL9936530 \| AMY2887 \| DTXSID70650132 \| MFCD09260613 \| AKOS015851450 \| Methyl3-cyano-1H-indole-4-carboxylate \| BS-23613 \| Q-102564
Specifications & Purity	≥98%
Storage Temp	Room temperature
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
Alternative Parents	Indoles Substituted pyrroles Benzenoids Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid - Indole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group 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	methyl 3-cyano-1H-indole-4-carboxylate
INCHI	InChI=1S/C11H8N2O2/c1-15-11(14)8-3-2-4-9-10(8)7(5-12)6-13-9/h2-4,6,13H,1H3
InChIKey	NMPYJMZQCATEKY-UHFFFAOYSA-N
Smiles	COC(=O)C1=C2C(=CC=C1)NC=C2C#N
Isomeric SMILES	COC(=O)C1=C2C(=CC=C1)NC=C2C#N
Molecular Weight	200.2
Reaxy-Rn	36171713
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36171713&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	200.190 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	200.059 Da
Monoisotopic Mass	200.059 Da
Topological Polar Surface Area	65.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	307.000
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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