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5-Hydroxybenzo[d]oxazol-2(3H)-one - ≥97%, high purity , CAS No.54209-92-6

COA

Grade & Purity:

≥97%

Cas Number: 54209-92-6
Molecular Weight: 151.12
PubChem CID: 16046671

In stock

Item Number

H728628

Grouped product items
SKU	Size	Availability	Price
H728628-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$482.90
H728628-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$844.90
H728628-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,435.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazoles
    - Subclass Benzoxazolones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazoles
Subclass	Benzoxazolones
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazolones
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazolone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
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	5-hydroxy-3H-1,3-benzoxazol-2-one
INCHI	InChI=1S/C7H5NO3/c9-4-1-2-6-5(3-4)8-7(10)11-6/h1-3,9H,(H,8,10)
InChIKey	QBUICLNAZOIKFL-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1O)NC(=O)O2
Isomeric SMILES	C1=CC2=C(C=C1O)NC(=O)O2
PubChem CID	16046671
Molecular Weight	151.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	151.120 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	151.027 Da
Monoisotopic Mass	151.027 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	183.000
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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