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6-Methoxyindole-3-acetic acid , CAS No.103986-22-7

COA

Grade & Purity:

≥95%

Cas Number: 103986-22-7
Molecular Weight: 205.21
PubChem CID: 11413063

In stock

Item Number

M351800

Grouped product items
SKU	Size	Availability	Price
M351800-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$161.90
M351800-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$254.90
M351800-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,145.90

Basic Description

Synonyms	2-(6-methoxy-1H-indol-3-yl)acetic Acid \| FD13062 \| 6-Methoxy-1H-indole-3-aceticacid \| EN300-1610770 \| SCHEMBL8581146 \| Z1508926276 \| 1H-Indole-3-acetic acid, 6-methoxy- \| DTXSID20465071 \| AKOS005258990 \| FT-0726682 \| 6-Methoxyindole-3-acetic acid \| MFCD01
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
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 Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolyl carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indole-3-acetic acid derivatives
Alternative Parents	3-alkylindoles Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole-3-acetic acid derivative - 3-alkylindole - Indole - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of 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	2-(6-methoxy-1H-indol-3-yl)acetic acid
INCHI	InChI=1S/C11H11NO3/c1-15-8-2-3-9-7(4-11(13)14)6-12-10(9)5-8/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKey	FRLCWLTTZFMZJI-UHFFFAOYSA-N
Smiles	COC1=CC2=C(C=C1)C(=CN2)CC(=O)O
Isomeric SMILES	COC1=CC2=C(C=C1)C(=CN2)CC(=O)O
Molecular Weight	205.21
Reaxy-Rn	384044
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=384044&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in methanol
Molecular Weight	205.210 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	205.074 Da
Monoisotopic Mass	205.074 Da
Topological Polar Surface Area	62.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	244.000
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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