Basic information
- CAS
101711-19-7- Standard SMILES
CC#CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1- InChIKey
YCRGZXDHAYBAPE-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Names & identifiers
- Preferred name
- Mandelic acid, alpha-(1-propynyl)-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-ynoate
Names & synonyms
3-Quinuclidyl phenyl(1-propynyl)glycolate A3-Quinuclidyl phenyl(1-propynyl)glycolate BMANDELIC ACID, alpha-(1-PROPYNYL)-, 3-QUINUCLIDINYL ESTER101711-19-7RefChem:351909DTXSID809065711-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-ynoate
Database identifiers
- CAS
101711-19-7- PubChem CID
- 58828
- DTXSID
DTXSID80906571- Nikkaji
- J147.733A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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