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Chemical ID: 6879771
Chemical ID:
6879771
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] 3,4,5-trimethoxybenzoate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4cc(c(c(c4)OC)OC)OC
InChi [?]:
InChI=1/C24H20O8/c1-13-7-8-16-15(10-13)20(25)23(22(31-16)17-6-5-9-30-17)32-24(26)14-11-18(27-2)21(29-4)19(12-14)28-3/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,32,30,15,14,3,4,16,7,26,22,2,21,6,5,13,25,23,8,24,11,10,19,9,20,27,31,29,17,12,18/E:(2,3)(11,12)(18,19)(27,28)/rA:32nCCCCCCCCOCCOCCCCOOCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s23;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20O8 |
All Atoms: | 52 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62968 |
Area: | 635.771 |
Solvation: | -7.26459 |
Coulombic: | -65.81 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 436.411 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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