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4，7-dihydro-7-oxopyrazolo[1，5-a]pyrimidine-6-carboxylicacid - ≥95%, high purity , CAS No.197367-75-2

COA

Grade & Purity:

≥95%

Cas Number: 197367-75-2
Molecular Weight: 179.14
PubChem CID: 16106426

In stock

Item Number

D728654

Grouped product items
SKU	Size	Availability	Price	Qty
D728654-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,825.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolopyrimidines
    - Subclass Pyrazolo[1,5-a]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolopyrimidines
Subclass	Pyrazolo[1,5-a]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolo[1,5-a]pyrimidines
Alternative Parents	Pyrimidinecarboxylic acids Pyrimidones Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[1,5-a]pyrimidine - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-5-carboxylic acid - Pyrimidone - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - 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 pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a 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	7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
INCHI	InChI=1S/C7H5N3O3/c11-6-4(7(12)13)3-8-5-1-2-9-10(5)6/h1-3,9H,(H,12,13)
InChIKey	BUHKSVAVVBZSKM-UHFFFAOYSA-N
Smiles	C1=CNN2C1=NC=C(C2=O)C(=O)O
Isomeric SMILES	C1=CNN2C1=NC=C(C2=O)C(=O)O
PubChem CID	16106426
Molecular Weight	179.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	179.130 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	179.033 Da
Monoisotopic Mass	179.033 Da
Topological Polar Surface Area	82.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	380.000
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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