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1-Methylindoline-4-carboxylic acid - 96%, high purity , CAS No.168899-63-6

COA

Grade & Purity:

≥96%

Cas Number: 168899-63-6
Molecular Weight: 177.2
PubChem CID: 47003667

In stock

Item Number

M191451

Grouped product items
SKU	Size	Availability	Price	Qty
M191451-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
M191451-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90

Discover 1-Methylindoline-4-carboxylic acid by Aladdin Scientific in 96% for only $16.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-methylindoline-4-carboxylic acid \| 168899-63-6 \| 1-methyl-2,3-dihydroindole-4-carboxylic acid \| 1-methyl-2,3-dihydro-1H-indole-4-carboxylic acid \| 1H-Indole-4-carboxylic acid, 2,3-dihydro-1-methyl- \| 1-methylindoline-4-carboxylicacid \| DTXSID30677643 \| MFCD16622223 \| A
Specifications & Purity	≥96%
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	Dialkylarylamines Aralkylamines Benzenoids Amino acids Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid - Dialkylarylamine - Aralkylamine - Benzenoid - Amino acid or derivatives - Tertiary amine - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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	1-methyl-2,3-dihydroindole-4-carboxylic acid
INCHI	InChI=1S/C10H11NO2/c1-11-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-4H,5-6H2,1H3,(H,12,13)
InChIKey	QOLDZPOZKZZFOZ-UHFFFAOYSA-N
Smiles	CN1CCC2=C(C=CC=C21)C(=O)O
Isomeric SMILES	CN1CCC2=C(C=CC=C21)C(=O)O
Molecular Weight	177.2
Reaxy-Rn	54897539
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54897539&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	177.200 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	177.079 Da
Monoisotopic Mass	177.079 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	217.000
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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