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Chemical ID: 3966504
Chemical ID:
3966504
Name [?]:
None
SMILES [?]:
c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O
InChi [?]:
InChI=1/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
InChi Info:
AuxInfo=1/0/N:1,6,2,5,20,7,3,4,19,8,18,9,11,15,21,14,22,13,12,16,10,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCCCOCOOOCOOCCCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;d11;s8;s7;s5;d15;s15;s3s17;d18;d1s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H6O8 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.81957 |
Area: | 432.281 |
Solvation: | -7.98747 |
Coulombic: | -96.5021 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 302.193 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.46 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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