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Chemical ID: 6879795
Chemical ID:
6879795
Name [?]:
cyclohexyl 2-[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)OC4CCCCC4
InChi [?]:
InChI=1/C22H22O6/c1-14-9-10-17-16(12-14)20(24)22(21(28-17)18-8-5-11-25-18)26-13-19(23)27-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,15,24,28,14,3,4,16,7,19,2,23,6,5,13,20,8,11,10,21,9,17,18,22,12/E:(3,4)(6,7)/rA:28nCCCCCCCCOCCOCCCCOOCCOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22O6 |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75034 |
Area: | 592.012 |
Solvation: | -5.04997 |
Coulombic: | -52.4718 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 382.406 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.54 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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