Basic information
- CAS
101710-94-5- Standard SMILES
C=C(C)C(O)(C(=O)OC1CCN(C)CC1)c1ccc(OC)c(OC)c1- InChIKey
NIHALXQKTUBPOF-UHFFFAOYSA-N- Molecular formula
- C19H27NO5
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.18892296
Names & identifiers
- Preferred name
- Mandelic acid, 3,4-dimethoxy-alpha-isopropenyl-, 1-methyl-4-piperidyl ester
- IUPAC
- (1-methylpiperidin-4-yl) 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoate
- English name
- MANDELIC ACID, 3,4-DIMETHOXY-alpha-ISOPROPENYL-, 1-METHYL-4-PIPERIDYL ESTER
- Molecular weight
- 0
Names & synonyms
101710-94-5MANDELIC ACID, 3,4-DIMETHOXY-alpha-ISOPROPENYL-, 1-METHYL-4-PIPERIDYL ESTERRefChem:10887931-Methyl-4-piperidyl 3,4-dimethoxyphenyl(isopropenyl)glycolate(1-methylpiperidin-4-yl) 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoate1-methylpiperidin-4-yl 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoate3-Butenoic acid, 2-hydroxy-3-methyl-2-(3,4-dimethoxyphenyl)-, 1-methyl-4-piperidyl esterDTXSID80906551MANDELIC ACID, 3,4-DIMETHOXY-alpha-ISOPROPENYL-, 1-METHYL-4-PIPERIDYL ESTER
Database identifiers
- CAS
101710-94-5- PubChem CID
- 58801
- DTXSID
DTXSID80906551- Nikkaji
- J147.697A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 474
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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