Basic information
- CAS
93101-67-8- Standard SMILES
CC(C)C(O)(C(=O)OCC1=CCC2CCC1N2C)c1ccccc1- InChIKey
HOJNIJKBHYQFTN-UHFFFAOYSA-N- Molecular formula
- C20H27NO3
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.19909372
Names & identifiers
- Preferred name
- Mandelic acid, alpha-isopropyl-, (2,3-didehydro-1-alpha-H,5-alpha-H-tropan-2-yl)methyl ester
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate
Names & synonyms
NSC 26355693101-67-82-Tropidinemethyl alpha-isopropyl-alpha-phenylglycolateMandelic acid, alpha-isopropyl-, (2,3-didehydro-1-alpha-H,5-alpha-H-tropan-2-yl)methyl esterRefChem:351933NSC263556DTXSID70918704NSC-263556(8-Methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate
Database identifiers
- CAS
93101-67-8- PubChem CID
- 56548
- DTXSID
DTXSID70918704
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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