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Chemical ID: 6682316
Chemical ID:
6682316
Name [?]:
None
SMILES [?]:
[Li]OC(=O)CC(CC(=O)O[Li])(C(=O)O[Li])O
InChi [?]:
InChI=1/C6H8O7.3Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChi Info:
AuxInfo=1/1/N:5,7,3,8,12,6,2,4,9,10,13,14,16;1;11;15/E:(1,2)(3,4)(7,8,9,10)(11,12);;;/gE:(1,2);;;/rA:16nLiOCOCCCCOOLiCOOLiO/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;s10;s6;d12;s12;s14;s6;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H5Li3O7 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 30.8045 |
Area: | 363.714 |
Solvation: | 21.7117 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 209.923 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | -1.19 |
LogP (Chemaxon): | -0.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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