Basic information
- CAS
113932-50-6- Standard SMILES
COC1=NOC2CCNCC12- InChIKey
GJZBROBPSQDYIN-UHFFFAOYSA-N- Molecular formula
- C7H12N2O2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.08987763
Names & identifiers
- Preferred name
- 3a,4,5,6,7,7a-Hexahydro-3-methoxyisoxazolo[4,5-c]pyridine
- IUPAC
- 3-methoxy-3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[4,5-c]pyridine
Names & synonyms
DTXSID8011973173a,4,5,6,7,7a-Hexahydro-3-methoxyisoxazolo[4,5-c]pyridine3-Methoxy-3a,4,5,6,7,7a-hexahydro[1,2]oxazolo[4,5-c]pyridine113932-50-6
Database identifiers
- CAS
113932-50-6- PubChem CID
- 85548438
- DTXSID
DTXSID801197317
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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