Agn-PC-0jklon
Basic information
- CAS
22194-33-8- Standard SMILES
COC1CC2CC(OC(=O)c3ccccc3)CC1N2C- InChIKey
ZRVCPWWUTDVVKH-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- Agn-PC-0jklon
- IUPAC
- (6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate
Names & synonyms
AGN-PC-0JKLON22194-33-8DTXSID802749046-Methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate
Database identifiers
- CAS
22194-33-8- PubChem CID
- 30983
- DTXSID
DTXSID80274904
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
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Related reactions
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Compound notes
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