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1-hydroxyisoquinoline-6-carboxylic acid - ≥95%, high purity , CAS No.1301214-60-7

COA

Grade & Purity:

≥95%

Cas Number: 1301214-60-7
Molecular Weight: 189.17
PubChem CID: 58252554

In stock

Item Number

H734313

Grouped product items
SKU	Size	Availability	Price	Qty
H734313-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$380.90
H734313-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,256.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives
    - Subclass Isoquinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Isoquinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolones and derivatives
Alternative Parents	Pyridinones Benzenoids Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinolone - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
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-oxo-2H-isoquinoline-6-carboxylic acid
INCHI	InChI=1S/C10H7NO3/c12-9-8-2-1-7(10(13)14)5-6(8)3-4-11-9/h1-5H,(H,11,12)(H,13,14)
InChIKey	BMHOAEQKRSPMLK-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=CNC2=O)C=C1C(=O)O
Isomeric SMILES	C1=CC2=C(C=CNC2=O)C=C1C(=O)O
PubChem CID	58252554
Molecular Weight	189.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	189.170 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	189.043 Da
Monoisotopic Mass	189.043 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	14
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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