Basic information
- CAS
81795-67-7- Standard SMILES
C1CC[C@H]2OCN[C@@H]2C1- InChIKey
XLRZZUUFKAXBGZ-RNFRBKRXSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
- Monoisotopic mass
- 127.09971404
Names & identifiers
- Preferred name
- (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
- IUPAC
- (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
Names & synonyms
NSC36187181795-67-7DTXSID70320606NSC-361871(3AR,7AR)-OCTAHYDRO-1,3-BENZOXAZOLE
Database identifiers
- CAS
81795-67-7- PubChem CID
- 338646
- DTXSID
DTXSID70320606
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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