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3-methyl-1,4,6,7-tetrahydroindazol-5-one - 97%, high purity , CAS No.1204220-90-5

COA

Grade & Purity:

≥97%

Cas Number: 1204220-90-5
Molecular Weight: 150.18
PubChem CID: 72206758

In stock

Item Number

M627327

Grouped product items
SKU	Size	Availability	Price
M627327-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90
M627327-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$232.90
M627327-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
M627327-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90
M627327-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,911.90

Basic Description

Synonyms	1204220-90-5 \| 3-METHYL-6,7-DIHYDRO-1H-INDAZOL-5(4H)-ONE \| 3-METHYL-1,4,6,7-TETRAHYDROINDAZOL-5-ONE \| 3-methyl-2,4,6,7-tetrahydroindazol-5-one \| 3-METHYL-1,4,6,7-TETRAHYDRO-5H-INDAZOL-5-ONE \| SCHEMBL19153341 \| MFCD14706791 \| MB14531 \| AS-79420 \| CS-030967
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazoles
Alternative Parents	Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Heteroaromatic compound - Pyrazole - Cyclic ketone - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
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	3-methyl-2,4,6,7-tetrahydroindazol-5-one
INCHI	InChI=1S/C8H10N2O/c1-5-7-4-6(11)2-3-8(7)10-9-5/h2-4H2,1H3,(H,9,10)
InChIKey	MLQWJFPLOCALPT-UHFFFAOYSA-N
Smiles	CC1=C2CC(=O)CCC2=NN1
Isomeric SMILES	CC1=C2CC(=O)CCC2=NN1
PubChem CID	72206758
Molecular Weight	150.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	150.180 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	150.079 Da
Monoisotopic Mass	150.079 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	181.000
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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