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Methyl 6-methoxy-1H-indazole-3-carboxylate - ≥95%, high purity , CAS No.885278-53-5

COA

Grade & Purity:

≥95%

Cas Number: 885278-53-5
Molecular Weight: 206.2
PubChem CID: 46863924

In stock

Item Number

M732874

Grouped product items
SKU	Size	Availability	Price	Qty
M732874-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90

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 Anisoles Alkyl aryl ethers Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Anisole - Phenol ether - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Pyrazole - Heteroaromatic compound - Azole - Methyl ester - Carboxylic acid ester - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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 6-methoxy-1H-indazole-3-carboxylate
INCHI	InChI=1S/C10H10N2O3/c1-14-6-3-4-7-8(5-6)11-12-9(7)10(13)15-2/h3-5H,1-2H3,(H,11,12)
InChIKey	QCRFOISODBNEHE-UHFFFAOYSA-N
Smiles	COC1=CC2=C(C=C1)C(=NN2)C(=O)OC
Isomeric SMILES	COC1=CC2=C(C=C1)C(=NN2)C(=O)OC
PubChem CID	46863924
Molecular Weight	206.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.200 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	206.069 Da
Monoisotopic Mass	206.069 Da
Topological Polar Surface Area	64.200 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	247.000
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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