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Chemical ID: 7712326
Chemical ID:
7712326
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(=O)c2ccc3c4c2cccc4C(=O)OC3=O)C(=O)O
InChi [?]:
InChI=1/C20H10O6/c21-17(11-4-1-2-5-13(11)18(22)23)12-8-9-15-16-10(12)6-3-7-14(16)19(24)26-20(15)25/h1-9H,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,16,6,3,15,17,10,11,14,5,9,4,18,12,13,7,24,19,22,8,25,26,20,23,21/E:(22,23)/rA:26nCCCCCCCOCCCCCCCCCCCOOCOCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s18;d19;s19;s12s21;d22;s4;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H10O6 |
All Atoms: | 36 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.52727 |
Area: | 503.589 |
Solvation: | -4.06246 |
Coulombic: | -66.4172 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.96 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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