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2-(Anthracen-9-ylmethylene)malononitrile - ≥95%, high purity , CAS No.55490-87-4

COA

Grade & Purity:

≥95%

Cas Number: 55490-87-4
Molecular Weight: 254.29
PubChem CID: 41459

In stock

Item Number

M693997

Grouped product items
SKU	Size	Availability	Price	Qty
M693997-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$156.90
M693997-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$354.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Anthracenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Anthracenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Anthracenes
Alternative Parents	Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Anthracene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-(anthracen-9-ylmethylidene)propanedinitrile
INCHI	InChI=1S/C18H10N2/c19-11-13(12-20)9-18-16-7-3-1-5-14(16)10-15-6-2-4-8-17(15)18/h1-10H
InChIKey	RDMANBWYQHJIFZ-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C(C#N)C#N
Isomeric SMILES	C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C(C#N)C#N
PubChem CID	41459
Molecular Weight	254.29

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	254.300 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	254.084 Da
Monoisotopic Mass	254.084 Da
Topological Polar Surface Area	47.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	446.000
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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