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3-(1,3,4-Oxadiazol-2-yl)phenol - 95%, high purity , CAS No.5378-29-0

COA

Grade & Purity:

≥95%

Cas Number: 5378-29-0
Molecular Weight: 162.148
MDL number: MFCD06643238
PubChem CID: 4300762

In stock

Item Number

O300327

Grouped product items
SKU	Size	Availability	Price
O300327-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
O300327-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
O300327-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$202.90
O300327-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$842.90

Basic Description

Synonyms	3-(1,3,4-oxadiazol-2-yl)phenol \| 5378-29-0 \| 3-[1,3,4]Oxadiazol-2-yl-phenol \| MFCD06643238 \| SCHEMBL859977 \| DTXSID70401702 \| CSMNFUDFDBVTHP-UHFFFAOYSA-N \| STK950751 \| 3-(1,3,4-oxadiazol-2-yl)-phenol \| AKOS001219775 \| AM807170 \| BS-28645 \| BB 0238369 \| CS-0205018 \| EN300-35475 \| 3-(1,
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass 1-hydroxy-4-unsubstituted benzenoids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	1-hydroxy-4-unsubstituted benzenoids
Intermediate Tree Nodes	Not available
Direct Parent	1-hydroxy-4-unsubstituted benzenoids
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
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-(1,3,4-oxadiazol-2-yl)phenol
INCHI	InChI=1S/C8H6N2O2/c11-7-3-1-2-6(4-7)8-10-9-5-12-8/h1-5,11H
InChIKey	CSMNFUDFDBVTHP-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)O)C2=NN=CO2
Isomeric SMILES	C1=CC(=CC(=C1)O)C2=NN=CO2
Molecular Weight	162.148
Reaxy-Rn	1073324
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1073324&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	162.150 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	162.043 Da
Monoisotopic Mass	162.043 Da
Topological Polar Surface Area	59.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	154.000
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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