Basic information
- CAS
101756-59-6- Standard SMILES
CC1C(OC(=O)C(O)(C2=CCCC2)c2ccccc2)C2CCN1CC2- InChIKey
IARSIZNKNRSSEI-UHFFFAOYSA-N- Molecular formula
- C21H27NO3
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.19909372
Names & identifiers
- Preferred name
- Mandelic acid, alpha-(1-cyclopentenyl)-, 2-methyl-3-quinuclidinyl ester
- IUPAC
- (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
Names & synonyms
2-Methyl-3-quinuclidinyl phenyl(1-cyclopentenyl)glycolate101756-59-6MANDELIC ACID, alpha-(1-CYCLOPENTENYL)-, 2-METHYL-3-QUINUCLIDINYL ESTERRefChem:351904DTXSID309066072-Methyl-1-azabicyclo[2.2.2]octan-3-yl (cyclopent-1-en-1-yl)(hydroxy)(phenyl)acetate2-Methyl-1-azabicyclo[2.2.2]octan-3-yl (cyclopent-1-en-1-yl)(hydroxy)phenylacetate
Database identifiers
- CAS
101756-59-6- PubChem CID
- 58883
- DTXSID
DTXSID30906607- Nikkaji
- J147.685H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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