4,6,10-Trioxa-1-azatricyclo[3.3.1.1~3,7~]decane
Basic information
- CAS
281-36-7- Standard SMILES
C1C2OC3CN1CC(O2)O3- InChIKey
KAIOVCWKGLTJGE-UHFFFAOYSA-N- Molecular formula
- C6H9NO3
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.05824315
Names & identifiers
- Preferred name
- 4,6,10-Trioxa-1-azatricyclo[3.3.1.1~3,7~]decane
- IUPAC
- 4,6,10-trioxa-1-azatricyclo[3.3.1.13,7]decane
Names & synonyms
281-36-7NSC2273944,6,10-Trioxa-1-azatricyclo[3.3.1.1~3,7~]decaneSCHEMBL11587733DTXSID20330230NSC-227394
Database identifiers
- CAS
281-36-7- PubChem CID
- 428017
- DTXSID
DTXSID20330230
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 123
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Compound notes
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