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1-(1H-indol-7-yl)ethanone - ≥95%, high purity , CAS No.104019-20-7

COA

Grade & Purity:

≥95%

Cas Number: 104019-20-7
Molecular Weight: 159.18
PubChem CID: 13770534

In stock

Item Number

E727685

Grouped product items
SKU	Size	Availability	Price	Qty
E727685-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$574.90
E727685-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$976.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	Indoles
Alternative Parents	Acetophenones Aryl alkyl ketones Vinylogous amides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Acetophenone - Indole - Aryl ketone - Aryl alkyl ketone - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
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-(1H-indol-7-yl)ethanone
INCHI	InChI=1S/C10H9NO/c1-7(12)9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3
InChIKey	BJFCCDMOVSQLQF-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC=CC2=C1NC=C2
Isomeric SMILES	CC(=O)C1=CC=CC2=C1NC=C2
PubChem CID	13770534
Molecular Weight	159.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	159.180 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	159.068 Da
Monoisotopic Mass	159.068 Da
Topological Polar Surface Area	32.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	190.000
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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