Basic information
- CAS
101710-95-6- Standard SMILES
C=C(C)C(O)(C(=O)OC1CN2CCC1CC2)c1ccc(OC)c(OC)c1- InChIKey
BNBJDLBOPYZXIM-UHFFFAOYSA-N- Molecular formula
- C20H27NO5
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.18892296
Names & identifiers
- Preferred name
- Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoate
- English name
- 1-azabicyclo[2.2.2]oct-8-yl 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methyl -but-3-enoate
- Molecular formula
- C20H27NO5
- Molecular weight
- 0
Names & synonyms
101710-95-63-Quinuclidyl 3,4-dimethoxyphenyl(isopropenyl)glycolateMandelic acid, 3,4-dimethoxy-alpha-isopropenyl-, 3-quinuclidinyl esterMANDELIC ACID, alpha-ISOPROPENYL-3,4-DIMETHOXY-, 3-QUINUCLIDINYL ESTERRefChem:3519321-azabicyclo[2.2.2]octan-3-yl 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoateBenzeneacetic acid, a-hydroxy-3,4-dimethoxy-a-(1-methylethenyl)-,1-azabicyclo[2.2.2]oct-3-yl esterDTXSID409065521-azabicyclo[2.2.2]oct-8-yl 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methyl -but-3-enoateBenzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-alpha-(1-methylethenyl)-, 1-azabicyclo[2.2.2]oct-3-yl ester1-Azabicyclo[2.2.2]octan-8-yl2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoate
Database identifiers
- CAS
101710-95-6- PubChem CID
- 58802
- DTXSID
DTXSID40906552- Nikkaji
- J147.701C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
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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