(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Basic information
- CAS
1423040-69-0- Standard SMILES
O[C@@H]1CCCOc2ccccc21- InChIKey
OJZWTYXMABCBFG-SECBINFHSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- (5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
- IUPAC
- (5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Names & synonyms
(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol1423040-69-0AKOS015059565CS-0223797EN300-116687
Database identifiers
- CAS
1423040-69-0- PubChem CID
- 51412220
- EC Number
- 194-317-2
- Nikkaji
- J3.325.712K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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