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2-(3，5-Dimethoxyphenyl)-2-methylpropanenitrile - ≥97%, high purity , CAS No.22972-63-0

COA

Grade & Purity:

≥97%

Cas Number: 22972-63-0
Molecular Weight: 205.25
PubChem CID: 9794262

In stock

Item Number

M710308

Grouped product items
SKU	Size	Availability	Price	Qty
M710308-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$63.90
M710308-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$126.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Methoxybenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Phenylpropanes Phenoxy compounds Anisoles Alkyl aryl ethers Nitriles Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-dimethoxybenzene - Dimethoxybenzene - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy 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	2-(3,5-dimethoxyphenyl)-2-methylpropanenitrile
INCHI	InChI=1S/C12H15NO2/c1-12(2,8-13)9-5-10(14-3)7-11(6-9)15-4/h5-7H,1-4H3
InChIKey	HUNVEDXBDXUTNF-UHFFFAOYSA-N
Smiles	CC(C)(C#N)C1=CC(=CC(=C1)OC)OC
Isomeric SMILES	CC(C)(C#N)C1=CC(=CC(=C1)OC)OC
PubChem CID	9794262
Molecular Weight	205.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	205.250 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	205.11 Da
Monoisotopic Mass	205.11 Da
Topological Polar Surface Area	42.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	242.000
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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2-(3，5-Dimethoxyphenyl)-2-methylpropanenitrile - ≥97%, high purity , CAS No.22972-63-0

Basic Description