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3-Hydroxy-5，6-dimethylpyrazine-2-carboxylic acid - ≥97%, high purity , CAS No.57796-64-2

COA

Grade & Purity:

≥97%

Cas Number: 57796-64-2
Molecular Weight: 168.15
PubChem CID: 307187

In stock

Item Number

H697311

Grouped product items
SKU	Size	Availability	Price	Qty
H697311-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$98.90
H697311-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$197.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrazines
      - Level5 Pyrazine carboxylic acids and derivatives
        Level6 Pyrazine carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrazines
Intermediate Tree Nodes	Pyrazine carboxylic acids and derivatives
Direct Parent	Pyrazine carboxylic acids
Alternative Parents	Vinylogous amides Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazine carboxylic acid - Vinylogous amide - Heteroaromatic compound - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups.
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	5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxylic acid
INCHI	InChI=1S/C7H8N2O3/c1-3-4(2)9-6(10)5(8-3)7(11)12/h1-2H3,(H,9,10)(H,11,12)
InChIKey	KAUAWDMQKHADMP-UHFFFAOYSA-N
Smiles	CC1=C(N=C(C(=O)N1)C(=O)O)C
Isomeric SMILES	CC1=C(N=C(C(=O)N1)C(=O)O)C
PubChem CID	307187
Molecular Weight	168.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	168.150 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	168.053 Da
Monoisotopic Mass	168.053 Da
Topological Polar Surface Area	78.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	315.000
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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