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Chemical ID: 6879757
Chemical ID:
6879757
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] 2-methylbenzoate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4C
InChi [?]:
InChI=1/C22H16O5/c1-13-9-10-17-16(12-13)19(23)21(20(26-17)18-8-5-11-25-18)27-22(24)15-7-4-3-6-14(15)2/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,24,23,15,25,22,14,3,4,16,7,2,26,21,6,5,13,8,11,10,19,9,20,17,12,18/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16O5 |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4937 |
Area: | 544.491 |
Solvation: | -3.11855 |
Coulombic: | -46.495 |
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: | 5.03 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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