Basic information
- CAS
101711-13-1- Standard SMILES
O=C(OC1CN2CCC1CC2)C(O)(CCc1ccccc1)c1ccccc1- InChIKey
GPVIJQIWNQUTQF-UHFFFAOYSA-N- Molecular formula
- C23H27NO3
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.19909372
Names & identifiers
- Preferred name
- Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,4-diphenylbutanoate
- English name
- 1-azabicyclo[2.2.2]oct-8-yl 2-hydroxy-2,4-diphenyl-butanoate
- Molecular formula
- C23H27NO3
- Molecular weight
- 0
Names & synonyms
101711-13-13-Quinuclidyl phenyl(2-phenylethyl)glycolateMANDELIC ACID, alpha-PHENETHYL-, 3-QUINUCLIDINYL ESTERRefChem:3519361-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,4-diphenylbutanoateDTXSID509065681-AZABICYCLO[2.2.2]OCT-8-YL 2-HYDROXY-2,4-DIPHENYL-BUTANOATEBenzenebutanoic acid, alpha-hydroxy-alpha-phenyl-, 1-azabicyclo[2.2.2]oct-3-yl ester
Database identifiers
- CAS
101711-13-1- PubChem CID
- 58823
- DTXSID
DTXSID50906568- Nikkaji
- J147.727G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 490
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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