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4-Formyl-1H-indazole-3-carboxylic acid - ≥95%, high purity , CAS No.885519-90-4

COA

Grade & Purity:

≥95%

Cas Number: 885519-90-4
Molecular Weight: 190.16
PubChem CID: 24728740

In stock

Item Number

F731317

Grouped product items
SKU	Size	Availability	Price	Qty
F731317-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$901.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrazoles
    - Subclass Indazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrazoles
Subclass	Indazoles
Intermediate Tree Nodes	Not available
Direct Parent	Indazoles
Alternative Parents	Pyrazole carboxylic acids and derivatives Aryl-aldehydes Benzenoids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Aryl-aldehyde - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
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	4-formyl-1H-indazole-3-carboxylic acid
INCHI	InChI=1S/C9H6N2O3/c12-4-5-2-1-3-6-7(5)8(9(13)14)11-10-6/h1-4H,(H,10,11)(H,13,14)
InChIKey	CAXPLHNPOMKHLU-UHFFFAOYSA-N
Smiles	C1=CC(=C2C(=C1)NN=C2C(=O)O)C=O
Isomeric SMILES	C1=CC(=C2C(=C1)NN=C2C(=O)O)C=O
PubChem CID	24728740
Molecular Weight	190.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	190.160 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	190.038 Da
Monoisotopic Mass	190.038 Da
Topological Polar Surface Area	83.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	256.000
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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