6,7-Dioxabicyclo[3.2.2]nonane

HCID 136113

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Basic information

CAS: 283-35-2
Standard SMILES: C1CC2CCC(C1)OO2
InChIKey: XXNKHBFCIGOWEC-UHFFFAOYSA-N
Molecular formula: C7H12O2
Average molar mass: 128.17 g/mol
Monoisotopic mass: 128.08372962

Names & identifiers

Preferred name: 6,7-Dioxabicyclo[3.2.2]nonane
IUPAC: 6,7-dioxabicyclo[3.2.2]nonane

Names & synonyms

6,7-Dioxabicyclo[3.2.2]nonane6,7-Dioxabicyclo(3,2,2)nonane283-35-26,7-Dioxabicyclo(3.2.2)nonaneDTXSID40950994RefChem:306266DTXCID401379129XXNKHBFCIGOWEC-UHFFFAOYSA-N

Database identifiers

CAS: 283-35-2
PubChem CID: 136113
DTXSID: DTXSID40950994

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 91.1

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