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Chemical ID: 6879729
Chemical ID:
6879729
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] 2-phenylacetate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)Cc4ccccc4
InChi [?]:
InChI=1/C22H16O5/c1-14-9-10-17-16(12-14)20(24)22(21(26-17)18-8-5-11-25-18)27-19(23)13-15-6-3-2-4-7-15/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,23,27,14,3,4,16,7,21,2,22,6,5,13,19,8,11,10,20,9,17,12,18/E:(3,4)(6,7)/rA:27nCCCCCCCCOCCOCCCCOOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16O5 |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.02 |
Area: | 552.067 |
Solvation: | -3.78165 |
Coulombic: | -44.4744 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 360.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.41 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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