Name: 7-oxabicyclo[2.2.1]heptan-2-one - ≥97% , CAS No.58564-88-8
Brand: Aladdin Scientific
SKU: O634165
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dihydrofurans
Subclass	Furanones
Intermediate Tree Nodes	Not available
Direct Parent	Furanones
Alternative Parents	Oxolanes Ketones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	3-furanone - Oxolane - Ketone - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as furanones. These are compounds containing a furan ring 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

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	112.130 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	112.052 Da
Monoisotopic Mass	112.052 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	130.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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Reviews

Canonical Smiles	C1CC2C(=O)CC1O2
IUPAC Name	7-oxabicyclo[2.2.1]heptan-2-one
InChIKey	WXPQJUYTXIJMPB-UHFFFAOYSA-N
INCHI	1S/C6H8O2/c7-5-3-4-1-2-6(5)8-4/h4,6H,1-3H2
Isomeric SMILES	C1CC2C(=O)CC1O2
Alternate CAS	58564-88-8
PubChem CID	12264628
Molecular Weight	112.13

7-oxabicyclo[2.2.1]heptan-2-one - ≥97% , CAS No.58564-88-8

Specifications