Convoline
Basic information
- CAS
89783-61-9- Standard SMILES
COc1ccc(C(=O)OC2CC3CCC(C2)N3O)cc1OC- InChIKey
QKXIPWXFQDIWOM-UHFFFAOYSA-N- Molecular formula
- C16H21NO5
- Average molar mass
- 307.34 g/mol
- Monoisotopic mass
- 307.14197277
Overview
Convoline is a methoxybenzoic acid.
Names & identifiers
- Preferred name
- Convoline
- IUPAC
- (8-hydroxy-8-azabicyclo[3.2.1]octan-3-yl) 3,4-dimethoxybenzoate
Names & synonyms
Convoline89783-61-9(8-hydroxy-8-azabicyclo[3.2.1]octan-3-yl) 3,4-dimethoxybenzoateDTXSID60332036(8-hydroxy-8-azabicyclo(3.2.1)octan-3-yl) 3,4-dimethoxybenzoateRefChem:127826DTXCID60283130C10855AC1L9DU5CHEBI:3869SCHEMBL29750307Q27106223
Show more names
8-Hydroxy-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
Database identifiers
- CAS
89783-61-9- PubChem CID
- 443002
- DTXSID
DTXSID60332036- ChEBI
CHEBI:3869
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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