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Methyl 2-(4-cyanophenyl)-2-methylpropanoate - 90%, high purity , CAS No.444807-47-0

COA

Grade & Purity:

≥90%

Cas Number: 444807-47-0
Molecular Weight: 203.09
MDL number: MFCD23097041
PubChem CID: 58915198

In stock

Item Number

M303734

Grouped product items
SKU	Size	Availability	Price	Qty
M303734-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90
M303734-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$111.90

Discover Methyl 2-(4-cyanophenyl)-2-methylpropanoate by Aladdin Scientific in 90% for only $67.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	methyl 2-(4-cyanophenyl)-2-methylpropanoate \| 444807-47-0 \| SCHEMBL5355618 \| DTXSID801272321 \| MFCD23097041 \| AKOS022188737 \| DS-9091 \| methyl2-(4-cyanophenyl)-2-methylpropanoate \| CS-0139422 \| O11851 \| EN300-9601759 \| methyl 4-cyano-alpha,alpha-dimethylbenzeneacetate
Specifications & Purity	≥90%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Benzonitriles Methyl esters Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Benzonitrile - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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	methyl 2-(4-cyanophenyl)-2-methylpropanoate
INCHI	InChI=1S/C12H13NO2/c1-12(2,11(14)15-3)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3
InChIKey	FFCALCDCZITJBM-UHFFFAOYSA-N
Smiles	CC(C)(C1=CC=C(C=C1)C#N)C(=O)OC
Isomeric SMILES	CC(C)(C1=CC=C(C=C1)C#N)C(=O)OC
Molecular Weight	203.09
Reaxy-Rn	11520324
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11520324&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	203.240 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	203.095 Da
Monoisotopic Mass	203.095 Da
Topological Polar Surface Area	50.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	279.000
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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