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Methyl3-Methyl-1H-indazole-5-carboxylate - ≥98%, high purity , CAS No.1015068-76-4

COA

Grade & Purity:

≥98%

Cas Number: 1015068-76-4
PubChem CID: 22006444

In stock

Item Number

M730391

Grouped product items
SKU	Size	Availability	Price	Qty
M730391-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$745.90

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	Benzenoids Pyrazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Benzenoid - Azole - Pyrazole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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	methyl 3-methyl-2H-indazole-5-carboxylate
INCHI	InChI=1S/C10H10N2O2/c1-6-8-5-7(10(13)14-2)3-4-9(8)12-11-6/h3-5H,1-2H3,(H,11,12)
InChIKey	HWZPYTDUHRCVLH-UHFFFAOYSA-N
Smiles	CC1=C2C=C(C=CC2=NN1)C(=O)OC
Isomeric SMILES	CC1=C2C=C(C=CC2=NN1)C(=O)OC
Alternate CAS	1015068-76-4
PubChem CID	22006444

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	190.200 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	190.074 Da
Monoisotopic Mass	190.074 Da
Topological Polar Surface Area	55.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	232.000
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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