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1H-pyrazolo[3,4-d]pyrimidine-4-carboxylic acid - 97%, high purity , CAS No.1095822-28-8

COA

Grade & Purity:

≥97%

Cas Number: 1095822-28-8
Molecular Weight: 164.12
MDL number: MFCD16619897
PubChem CID: 57415837

In stock

Item Number

H626849

Grouped product items
SKU	Size	Availability	Price
H626849-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$114.90
H626849-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$228.90
H626849-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$364.90
H626849-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,819.90

Basic Description

Synonyms	AKOS025290777 \| 1H-PYRAZOLO[3,4-D]PYRIMIDINE-4-CARBOXYLICACID \| 1095822-28-8 \| PB31777 \| A895000 \| DTXSID00725529 \| MFCD16619897 \| SCHEMBL12590750 \| AS-42730 \| SY321001 \| 1H-PYRAZOLO[3,4-D]PYRIMIDINE-4-CARBOXYLIC ACID \| VTB82228
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Pyrimidinecarboxylic acids and derivatives
        Level6 Pyrimidinecarboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Pyrimidinecarboxylic acids and derivatives
Direct Parent	Pyrimidinecarboxylic acids
Alternative Parents	Pyrazolo[3,4-d]pyrimidines Pyrazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[3,4-d]pyrimidine - Pyrimidine-6-carboxylic acid - Pyrazolopyrimidine - Azole - Pyrazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
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	1H-pyrazolo[3,4-d]pyrimidine-4-carboxylic acid
INCHI	InChI=1S/C6H4N4O2/c11-6(12)4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H,11,12)(H,7,8,9,10)
InChIKey	AZJPEYXFODAMIE-UHFFFAOYSA-N
Smiles	C1=NNC2=NC=NC(=C21)C(=O)O
Isomeric SMILES	C1=NNC2=NC=NC(=C21)C(=O)O
Alternate CAS	1095822-28-8
PubChem CID	57415837
Molecular Weight	164.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	164.120 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	164.033 Da
Monoisotopic Mass	164.033 Da
Topological Polar Surface Area	91.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	198.000
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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