Mandelic acid, alpha-isopropenyl-, 2-alpha-tropanyl ester, L-(+)-
Basic information
- CAS
64471-20-1- Standard SMILES
C=C(C)[C@@](O)(C(=O)OC1CCC2CCC1N2C)c1ccccc1- InChIKey
LPCWAGHWJNRXDB-QMUDONBSSA-N- Molecular formula
- C19H25NO3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.18344366
Names & identifiers
- Preferred name
- Mandelic acid, alpha-isopropenyl-, 2-alpha-tropanyl ester, L-(+)-
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-2-yl) (2S)-2-hydroxy-3-methyl-2-phenylbut-3-enoate
Names & synonyms
BRN 1494993L(+)-2-alpha-Tropanyl phenyl(isopropenyl)glycolate(+)-2-alpha-Tropan-2-ol, (+-)-2-isopropenyl-2-phenylglycolateMANDELIC ACID, alpha-ISOPROPENYL-, 2-alpha-TROPANYL ESTER, L-(+)-64471-20-1RefChem:351929DTXSID709830388-Methyl-8-azabicyclo[3.2.1]octan-2-yl 2-hydroxy-3-methyl-2-phenylbut-3-enoate8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-2-YL (2S)-2-HYDROXY-3-METHYL-2-PHENYLBUT-3-ENOATE
Database identifiers
- CAS
64471-20-1- PubChem CID
- 47398
- DTXSID
DTXSID70983038
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 471
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Compound notes
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