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Chemical ID: 5261922
Chemical ID:
5261922
Name [?]:
None
SMILES [?]:
c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O
InChi [?]:
InChI=1/C16H8O6/c17-15(18)13-4-8-3-7-1-2-11-10(6-14(21-11)16(19)20)9(7)5-12(8)22-13/h1-6H,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,13,15,19,5,12,14,11,4,3,18,16,6,20,8,21,22,9,10,7,17/E:(17,18)(19,20)/rA:22nCCCCCCOCOOCCCCCCOCCCOO/rB:s1;d2;s3;s4;d5;s3s6;s6;d8;s8;d4;d1s11;s12;d13;s14;d15;s16;s14s17;s11d18;s16;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H8O6 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.73715 |
Area: | 473.456 |
Solvation: | -4.09926 |
Coulombic: | -72.1422 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.231 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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