Basic information
- CAS
101710-97-8- Standard SMILES
C=C(C)C(O)(C(=O)OCC1=CN(C)CCC1)c1ccccc1- InChIKey
AHUYBKUKIJKAPW-UHFFFAOYSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Names & identifiers
- Preferred name
- (1-Methyl-1,4,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate
- IUPAC
- (1-methyl-3,4-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate
Names & synonyms
101710-97-8DTXSID60906554(1-methyl-1,4,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoateRefChem:1049274DTXCID301335651Mandelic acid, alpha-isopropenyl-, 1-methyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester3-(1-Methyl-1,2,5,6-tetrahydropyridine)methyl phenyl(iso-propenyl)glycolate
Database identifiers
- CAS
101710-97-8- PubChem CID
- 58804
- DTXSID
DTXSID60906554
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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