Basic information
- CAS
92956-07-5- Standard SMILES
CC#CC(O)(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1- InChIKey
DNATWQLLXHUDBK-UHFFFAOYSA-N- Molecular formula
- C19H23NO3
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.1677936
Names & identifiers
- Preferred name
- Mandelic acid, alpha-(1-propynyl)-, 3-alpha-tropanyl ester
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylpent-3-ynoate
Names & synonyms
3-alpha-Tropanyl phenyl (1-propynyl)glycolate92956-07-5MANDELIC ACID, alpha-(1-PROPYNYL)-, 3-alpha-TROPANYL ESTERRefChem:351908DTXSID009188388-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL 2-HYDROXY-2-PHENYLPENT-3-YNOATE
Database identifiers
- CAS
92956-07-5- PubChem CID
- 56500
- DTXSID
DTXSID00918838- Nikkaji
- J147.734J
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
- 23
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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