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Chemical ID: 7727582
Chemical ID:
7727582
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)OC(=Cc3cccc(c3)OCC(=O)OC)C2=O
InChi [?]:
InChI=1/C19H16O6/c1-22-13-6-7-15-16(10-13)25-17(19(15)21)9-12-4-3-5-14(8-12)24-11-18(20)23-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,14,13,15,4,5,17,11,8,19,12,3,16,6,7,10,20,24,21,25,2,22,18,9/rA:25nCOCCCCCCOCCCCCCCCOCCOOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;s20;s22;s6s10;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16O6 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.01291 |
Area: | 563.609 |
Solvation: | -6.07731 |
Coulombic: | -50.9282 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.16 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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