Chemical ID: 3965218

CC(=O)OC1CN2CCC1CC2
Chemical ID:
3965218
Name [?]:
quinuclidin-3-yl acetate
SMILES [?]:
CC(=O)OC1CN2CCC1CC2
InChi [?]:
InChI=1/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,11,8,12,6,2,10,5,7,3,4/E:(2,3)(4,5)/rA:12cCCOOCCNCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.26848
Area:323.084
Solvation:-1.80862
Coulombic:-22.5935
Bond Count [?]
All:13
Single:12
Double:1
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:169.221
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.66
LogP (Chemaxon):0.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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