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3-Formyl-6-methoxyindole-1-carboxylic acid tert-butyl ester - 98%, high purity , CAS No.847448-73-1

COA

Grade & Purity:

≥98%

Cas Number: 847448-73-1
Molecular Weight: 275.3
PubChem CID: 21573409

In stock

Item Number

F186898

Grouped product items
SKU	Size	Availability	Price	Qty
F186898-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$81.90
F186898-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$288.90

Discover 3-Formyl-6-methoxyindole-1-carboxylic acid tert-butyl ester by Aladdin Scientific in 98% for only $81.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	tert-butyl 3-formyl-6-methoxy-1H-indole-1-carboxylate \| YQGCVAXEDJZWOE-UHFFFAOYSA-N \| 6-Methoxyindole-3-carboxaldehyde, N-BOC protected \| MFCD05864713 \| 1-Boc-3-Formyl-6-methoxyindole \| 3-Formyl-6-methoxyindole-1-carboxylic acid tert-butyl ester \| DS-8595
Specifications & Purity	≥98%
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 Pyrrole carboxylic acids and derivatives Anisoles Aryl-aldehydes Alkyl aryl ethers Substituted pyrroles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid - Indole - Anisole - Phenol ether - Pyrrole-1-carboxylic acid or derivatives - Alkyl aryl ether - Aryl-aldehyde - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Ether - Azacycle - Aldehyde - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - 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	tert-butyl 3-formyl-6-methoxyindole-1-carboxylate
INCHI	InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-8-10(9-17)12-6-5-11(19-4)7-13(12)16/h5-9H,1-4H3
InChIKey	YQGCVAXEDJZWOE-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)OC)C=O
Isomeric SMILES	CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)OC)C=O
Molecular Weight	275.3
Reaxy-Rn	9914012
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9914012&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	275.300 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	275.116 Da
Monoisotopic Mass	275.116 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	377.000
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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