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tert-Butyl 4-methoxy-1H-indole-1-carboxylate - ≥98%, high purity , CAS No.1093759-59-1

COA

Grade & Purity:

≥98%

Cas Number: 1093759-59-1
Molecular Weight: 247.29
PubChem CID: 49758848

In stock

Item Number

T732964

Grouped product items
SKU	Size	Availability	Price	Qty
T732964-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$534.90

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 Alkyl aryl ethers Substituted pyrroles 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 - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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 4-methoxyindole-1-carboxylate
INCHI	InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-9-8-10-11(15)6-5-7-12(10)17-4/h5-9H,1-4H3
InChIKey	DNCPOYDMSDZLSB-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2OC
Isomeric SMILES	CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2OC
PubChem CID	49758848
Molecular Weight	247.29

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	247.290 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	247.121 Da
Monoisotopic Mass	247.121 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	311.000
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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