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Pyrazine-2-carbaldehyde , CAS No.2288709-85-1

COA

Cas Number: 2288709-85-1
Molecular Weight: 108.1
PubChem CID: 11274980

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Item Number

P670104

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SKU	Size	Availability	Price	Qty
P670104-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10,000.90

Basic Description

Synonyms	Pyrazine-2-carbaldehyde \| Pyrazine-2-carboxaldehyde \| 2-pyrazinecarboxaldehyde \| Pyrazinecarboxaldehyde \| 2-FORMYLPYRAZINE \| 2-PYRAZINECARBALDEHYDE \| MFCD02179278 \| EX42FX5JBS \| formylpyrazine \| PncA Inhibitor, 1 \| UNII-EX42FX5JBS \| SCHEMBL193827 \| SCHEMB

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Aldehydes
        Level6 Aryl-aldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes
Direct Parent	Aryl-aldehydes
Alternative Parents	Pyrazines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl-aldehyde - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic 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	pyrazine-2-carbaldehyde
INCHI	InChI=1S/C5H4N2O/c8-4-5-3-6-1-2-7-5/h1-4H
InChIKey	DXBWJLDFSICTIH-UHFFFAOYSA-N
Smiles	C1=CN=C(C=N1)C=O
Isomeric SMILES	C1=CN=C(C=N1)C=O
PubChem CID	11274980
Molecular Weight	108.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	108.100 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	108.032 Da
Monoisotopic Mass	108.032 Da
Topological Polar Surface Area	42.900 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	84.500
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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