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2-Oxo-1，2，3，4-tetrahydroquinoline-7-carbonitrile - ≥98%, high purity , CAS No.903557-01-7

COA

Grade & Purity:

≥98%

Cas Number: 903557-01-7
PubChem CID: 58686845

In stock

Item Number

O734359

Grouped product items
SKU	Size	Availability	Price
O734359-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$312.90
O734359-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$528.90
O734359-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,545.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolones
Alternative Parents	Hydroquinolines Benzenoids Secondary carboxylic acid amides Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroquinolone - Tetrahydroquinoline - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organic nitrogen compound - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
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	2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
INCHI	InChI=1S/C10H8N2O/c11-6-7-1-2-8-3-4-10(13)12-9(8)5-7/h1-2,5H,3-4H2,(H,12,13)
InChIKey	LGEXBNZXXJFYEB-UHFFFAOYSA-N
Smiles	C1CC(=O)NC2=C1C=CC(=C2)C#N
Isomeric SMILES	C1CC(=O)NC2=C1C=CC(=C2)C#N
Alternate CAS	903557-01-7
PubChem CID	58686845

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.180 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	172.064 Da
Monoisotopic Mass	172.064 Da
Topological Polar Surface Area	52.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	265.000
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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