Basic information
- CAS
21619-53-4- Standard SMILES
OCC12CCCC(OC1)O2- InChIKey
ZZNSHWUXXRWERK-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- 6,8-Dioxabicyclo[3.2.1]oct-1-ylmethanol
- IUPAC
- 6,8-dioxabicyclo[3.2.1]octan-1-ylmethanol
Names & synonyms
21619-53-46,8-dioxabicyclo[3.2.1]oct-1-ylmethanolNSC97512SCHEMBL5878604DTXSID70294636NSC-97512(6,8-Dioxabicyclo[3.2.1]octan-1-yl)methanol
Database identifiers
- CAS
21619-53-4- PubChem CID
- 263163
- DTXSID
DTXSID70294636
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 137
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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