Basic information
- CAS
92956-19-9- Standard SMILES
C=C(C)C(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1- InChIKey
ZHLZZKXWWGQHCL-UHFFFAOYSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Names & identifiers
- Preferred name
- Mandelic acid, alpha-isopropenyl-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-3-methyl-2-phenylbut-3-enoate
Names & synonyms
alpha-Isopropenylmandelic acid 3-quinuclidinyl esterNSC 26354992956-19-93-Quinuclidyl phenyl(2-propenyl)glycolateMANDELIC ACID, alpha-ISOPROPENYL-, 3-QUINUCLIDINYL ESTERRefChem:351931DTXSID60918834NSC2635491-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-3-methyl-2-phenylbut-3-enoateNSC-263549
Database identifiers
- CAS
92956-19-9- PubChem CID
- 56503
- DTXSID
DTXSID60918834- Nikkaji
- J147.706D
Properties
Computed structural properties
- XLogP
- 3
- 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
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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