Basic information
- CAS
92956-66-6- Standard SMILES
CCCCCC#CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1- InChIKey
KTIZDUCGIMKBDX-UHFFFAOYSA-N- Molecular formula
- C22H29NO3
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.21474379
Names & identifiers
- Preferred name
- 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylnon-3-ynoate
Names & synonyms
3-Quinuclidyl phenyl(1-heptynyl)glycolate B2-Hydroxy-2-phenyl-3-nonynoic acid 3-quinuclidinyl ester92956-66-63-NONYNOIC ACID, 2-HYDROXY-2-PHENYL-, 3-QUINUCLIDINYL ESTERRefChem:281395DTXSID509188281-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylnon-3-ynoate
Database identifiers
- CAS
92956-66-6- PubChem CID
- 56510
- DTXSID
DTXSID50918828- Nikkaji
- J83.672I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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