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3-Ethyl-4-Hydroxymethyl-Benzonitrile - ≥95%, high purity , CAS No.202522-03-0

COA

Grade & Purity:

≥95%

Cas Number: 202522-03-0
Molecular Weight: 161.2
PubChem CID: 24971956

In stock

Item Number

E731457

Grouped product items
SKU	Size	Availability	Price	Qty
E731457-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,487.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl alcohols
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl alcohols
Alternative Parents	Benzonitriles Nitriles Primary alcohols Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl alcohol - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
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	3-ethyl-4-(hydroxymethyl)benzonitrile
INCHI	InChI=1S/C10H11NO/c1-2-9-5-8(6-11)3-4-10(9)7-12/h3-5,12H,2,7H2,1H3
InChIKey	WSNJZBSPUZABSU-UHFFFAOYSA-N
Smiles	CCC1=C(C=CC(=C1)C#N)CO
Isomeric SMILES	CCC1=C(C=CC(=C1)C#N)CO
PubChem CID	24971956
Molecular Weight	161.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	161.200 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	161.084 Da
Monoisotopic Mass	161.084 Da
Topological Polar Surface Area	44.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	182.000
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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3-Ethyl-4-Hydroxymethyl-Benzonitrile - ≥95%, high purity , CAS No.202522-03-0

Basic Description