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1-(4-METHOXYPHENYL)-1-CYCLOPENTANECARBONITRILE , CAS No.1206-15-1

COA

Cas Number: 1206-15-1
Molecular Weight: 201.271
PubChem CID: 71008

In stock

Item Number

M166501

Grouped product items
SKU	Size	Availability	Price	Qty
M166501-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90

Basic Description

Synonyms	1-(4-Methoxyphenyl)cyclopentanecarbonitrile \| 1206-15-1 \| 1-(4-methoxyphenyl)cyclopentane-1-carbonitrile \| 1-(4-Methoxyphenyl)-1-cyclopentanecarbonitrile \| MFCD00065276 \| NSC-154614 \| Cyclopentanecarbonitrile, 1-(4-methoxyphenyl)- \| EINECS 214-890-5 \| NSC154614 \| SCHEMBL10
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers
    - Subclass Anisoles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Anisoles
Intermediate Tree Nodes	Not available
Direct Parent	Anisoles
Alternative Parents	Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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	1-(4-methoxyphenyl)cyclopentane-1-carbonitrile
INCHI	InChI=1S/C13H15NO/c1-15-12-6-4-11(5-7-12)13(10-14)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChIKey	DOZAMVFROCVJLO-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C2(CCCC2)C#N
Isomeric SMILES	COC1=CC=C(C=C1)C2(CCCC2)C#N
Molecular Weight	201.271
Reaxy-Rn	2646434
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2646434&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	201.260 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	201.115 Da
Monoisotopic Mass	201.115 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	251.000
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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