Basic information
- CAS
93101-33-8- Standard SMILES
C=C(C)C(O)(C(=O)OCC1=CCN(C)CC1)c1ccccc1- InChIKey
NUPKLSAGLYZCLB-UHFFFAOYSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Names & identifiers
- Preferred name
- (1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate
- IUPAC
- (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate
Names & synonyms
93101-33-8DTXSID00918717(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoateRefChem:1049265DTXCID401347663Mandelic acid, alpha-isopropenyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester4-(1-Methyl-1,2,3,6-tetrahydro-4-pyridine)methyl-alpha-isopropenyl-alpha-phenyglycolate
Database identifiers
- CAS
93101-33-8- PubChem CID
- 56540
- DTXSID
DTXSID00918717- Nikkaji
- J147.704H
Properties
Computed structural properties
- XLogP
- 2.5
- 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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