Basic information
- CAS
86883-37-6- Standard SMILES
C1OC2C1OC1COC12- InChIKey
SHNRDOIPYNOPCV-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734411
Names & identifiers
- Preferred name
- 3,6,9-Trioxatricyclo[5.2.0.02,5]nonane
- IUPAC
- 3,6,9-trioxatricyclo[5.2.0.02,5]nonane
Names & synonyms
NSC36728686883-37-6DTXSID703209691,3:2,5:4,6-TrianhydrohexitolNSC-367286
Database identifiers
- CAS
86883-37-6- PubChem CID
- 339673
- DTXSID
DTXSID70320969
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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