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methyl 4,5-dimethoxy-1H-indole-2-carboxylate - 97%, high purity , CAS No.812652-84-9

COA

Grade & Purity:

≥97%

Cas Number: 812652-84-9
Molecular Weight: 235.24
PubChem CID: 4777928

In stock

Item Number

M634587

Grouped product items
SKU	Size	Availability	Price
M634587-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
M634587-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$164.90
M634587-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$249.90
M634587-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,121.90
M634587-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,241.90

Basic Description

Synonyms	methyl 4,5-dimethoxy-1H-indole-2-carboxylate \| 812652-84-9 \| 4,5-Dimethoxy-1H-indole-2-carboxylic acid methyl ester \| SCHEMBL5564109 \| BBL021177 \| MFCD07357552 \| STK893883 \| AKOS000123975 \| BB 0258780 \| CS-0455886 \| methyl4,5-dimethoxy-1H-indole-2-carboxy
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 Anisoles Alkyl aryl ethers Substituted pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid derivative - Indole - Anisole - Pyrrole-2-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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	methyl 4,5-dimethoxy-1H-indole-2-carboxylate
INCHI	InChI=1S/C12H13NO4/c1-15-10-5-4-8-7(11(10)16-2)6-9(13-8)12(14)17-3/h4-6,13H,1-3H3
InChIKey	MSOAVNPUVRAHBX-UHFFFAOYSA-N
Smiles	COC1=C(C2=C(C=C1)NC(=C2)C(=O)OC)OC
Isomeric SMILES	COC1=C(C2=C(C=C1)NC(=C2)C(=O)OC)OC
PubChem CID	4777928
Molecular Weight	235.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	235.240 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	235.084 Da
Monoisotopic Mass	235.084 Da
Topological Polar Surface Area	60.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	284.000
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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