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(R)-3-Acetoxyquinuclidine

CAT: 0572-TRC-A167615-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A167615-2.5GSize:2.5 g
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CAS Number
59653-40-6
Hazard Statement
No Data Available
Smiles
O=C(C)O[C@@H]1C(CC2)CCN2C1
Molecular Formula
C9H15NO2
Molecular Weight
169.22

Chemical Information

Aceclidine, (R)-
CAS Number59653-40-6
PubChem CID1273944
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] acetate
Molecular FormulaC9H15NO2
Molecular Weight169.22
XLogP0.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
CC(=O)O[C@H]1CN2CCC1CC2
InChI
InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3/t9-/m0/s1
InChIKey
WRJPSSPFHGNBMG-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Aceclidine, (R)-
CAS: 59653-40-6
CID: 1273944
Formula: C9H15NO2
MW: 169.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight169.22
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass169.110278721
Monoisotopic Mass169.110278721
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes