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Chemical ID: 3965218
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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