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3H-1,3,4-oxadiazol-2-one - 97%, high purity , CAS No.51517-09-0

COA

Grade & Purity:

≥97%

Cas Number: 51517-09-0
Molecular Weight: 86.05
EC Number: 854-706-6
PubChem CID: 18428992

In stock

Item Number

H634028

Grouped product items
SKU	Size	Availability	Price
H634028-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$379.90
H634028-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,631.90
H634028-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,261.90

Basic Description

Synonyms	AKOS013513384 \| DTXSID10593695 \| 1,3,4-Oxadiazol-2(3H)-one \| D96956 \| WTSXVIMLKCKWIW-UHFFFAOYSA-N \| AKOS025116463 \| MFCD26938312 \| SY143298 \| racemic 1,3,4-oxadiazol-2(3H)-one \| 1,3,4-oxadiazolone \| LS-09719 \| 2,3-dihydro-1,3,4-oxadiazol-2-one \| EN300-103
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Oxadiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Oxadiazoles
Intermediate Tree Nodes	Not available
Direct Parent	1,3,4-oxadiazoles
Alternative Parents	Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - 1,3,4-oxadiazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 3, and 4, respectively.
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	3H-1,3,4-oxadiazol-2-one
INCHI	InChI=1S/C2H2N2O2/c5-2-4-3-1-6-2/h1H,(H,4,5)
InChIKey	WTSXVIMLKCKWIW-UHFFFAOYSA-N
Smiles	C1=NNC(=O)O1
Isomeric SMILES	C1=NNC(=O)O1
Alternate CAS	51517-09-0
PubChem CID	18428992
MeSH Entry Terms	1,3,4-oxadiazol-2(3H)-one
Molecular Weight	86.05

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	86.050 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	86.0116 Da
Monoisotopic Mass	86.0116 Da
Topological Polar Surface Area	50.700 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	97.700
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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