Basic information
- CAS
82386-70-7- Standard SMILES
O=C1CCC(OC(=O)c2ccccc2)CCN1- InChIKey
NKTUAMLDUVGTJQ-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- 7-Oxoazepan-4-yl benzoate
- IUPAC
- (7-oxoazepan-4-yl) benzoate
Names & synonyms
82386-70-77-oxoazepan-4-yl benzoateNSC145104DTXSID40301644NSC-145104
Database identifiers
- CAS
82386-70-7- PubChem CID
- 286606
- DTXSID
DTXSID40301644
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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