Chemical ID: 4896547

CCOc1ccccc1Oc2coc3cc(ccc3c2=O)OC(=O)c4ccccc4
Chemical ID:
4896547
Name [?]:
[3-(2-ethoxyphenoxy)-4-oxo-chromen-7-yl] benzoate
SMILES [?]:
CCOc1ccccc1Oc2coc3cc(ccc3c2=O)OC(=O)c4ccccc4
InChi [?]:
InChI=1/C24H18O6/c1-2-27-19-10-6-7-11-20(19)30-22-15-28-21-14-17(12-13-18(21)23(22)25)29-24(26)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,27,29,6,7,26,30,5,8,17,18,15,12,25,16,19,4,9,14,11,20,23,21,24,3,13,22,10/E:(4,5)(8,9)/rA:30nCCOCCCCCCOCCOCCCCCCCOOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;s22;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18O6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.3225
Area:626.314
Solvation:-5.33536
Coulombic:-53.1361
Bond Count [?]
All:33
Single:21
Double:12
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.396
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.06
LogP (Chemaxon):4.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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