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[3-(4-Methoxy-phenyl)-isoxazol-5-yl]-methanol - 95%, high purity , CAS No.206055-86-9

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[3-(4-Methoxy-phenyl)-isoxazol-5-yl]-methanol - 95%, high purity , CAS No.206055-86-9

COA

Grade & Purity:

≥95%

Cas Number: 206055-86-9
Molecular Weight: 205.2
PubChem CID: 1471841

In stock

Item Number

M182658

Grouped product items
SKU	Size	Availability	Price	Qty
M182658-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
M182658-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$171.90

Basic Description

Synonyms	SCHEMBL1566577 \| [3-(4-Methoxyphenyl)-5-isoxazolyl]methanol \| [3-(4-methoxy-phenyl)-isoxazol-5-yl]-methanol, AldrichCPR \| MFCD04124287 \| 5-Isoxazolemethanol, 3-(4-methoxyphenyl)- \| [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanol \| 11L-326S \| STK510270 \| SR-
Specifications & Purity	≥95%
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 Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Azole - Isoxazole - Heteroaromatic compound - Organoheterocyclic compound - Ether - Azacycle - Oxacycle - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Alcohol - Organic oxygen compound - Aromatic heteromonocyclic 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

Associated Targets(non-human)

Trypanosoma cruzi (99888 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanol
INCHI	InChI=1S/C11H11NO3/c1-14-9-4-2-8(3-5-9)11-6-10(7-13)15-12-11/h2-6,13H,7H2,1H3
InChIKey	SROFDUACOHNMJB-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C2=NOC(=C2)CO
Isomeric SMILES	COC1=CC=C(C=C1)C2=NOC(=C2)CO
Molecular Weight	205.2
Reaxy-Rn	8904121
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8904121&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	205.210 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	205.074 Da
Monoisotopic Mass	205.074 Da
Topological Polar Surface Area	55.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	192.000
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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