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tert-Butyl 4-hydroxy-1H-indole-1-carboxylate - ≥95%, high purity , CAS No.879093-22-8

COA

Grade & Purity:

≥95%

Cas Number: 879093-22-8
PubChem CID: 24728909

In stock

Item Number

T731328

Grouped product items
SKU	Size	Availability	Price	Qty
T731328-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$308.90
T731328-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$524.90

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	Hydroxyindoles Indoles Pyrrole carboxylic acids and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid - Hydroxyindole - Indole - Pyrrole-1-carboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen 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 4-hydroxyindole-1-carboxylate
INCHI	InChI=1S/C13H15NO3/c1-13(2,3)17-12(16)14-8-7-9-10(14)5-4-6-11(9)15/h4-8,15H,1-3H3
InChIKey	VQMNWIMYFHHFMC-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2O
Isomeric SMILES	CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2O
Alternate CAS	879093-22-8
PubChem CID	24728909

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	233.260 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	233.105 Da
Monoisotopic Mass	233.105 Da
Topological Polar Surface Area	51.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	298.000
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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