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Chemical ID: 6847133
Chemical ID:
6847133
Name [?]:
[2-(2-furyl)-6,8-dimethyl-4-oxo-chromen-3-yl] benzoate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4)C
InChi [?]:
InChI=1/C22H16O5/c1-13-11-14(2)19-16(12-13)18(23)21(20(26-19)17-9-6-10-25-17)27-22(24)15-7-4-3-5-8-15/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,24,23,25,15,22,26,14,16,3,7,2,4,21,6,13,8,5,11,10,19,9,20,17,12,18/E:(4,5)(7,8)/rA:27nCCCCCCCCOCCOCCCCOOCOCCCCCCC/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;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16O5 |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6561 |
Area: | 551.026 |
Solvation: | -3.1196 |
Coulombic: | -46.5321 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 360.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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