Chemical ID: 4900886

CCOc1ccccc1Oc2coc3cc(ccc3c2=O)OC(=O)C(C)C
Chemical ID:
4900886
Name [?]:
[3-(2-ethoxyphenoxy)-4-oxo-chromen-7-yl] 2-methylpropanoate
SMILES [?]:
CCOc1ccccc1Oc2coc3cc(ccc3c2=O)OC(=O)C(C)C
InChi [?]:
InChI=1/C21H20O6/c1-4-24-16-7-5-6-8-17(16)27-19-12-25-18-11-14(26-21(23)13(2)3)9-10-15(18)20(19)22/h5-13H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,2,6,7,5,8,17,18,15,12,25,16,19,4,9,14,11,20,23,21,24,3,13,22,10/E:(2,3)/rA:27nCCOCCCCCCOCCOCCCCCCCOOCOCCC/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O6
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.29861
Area:586.722
Solvation:-5.36944
Coulombic:-50.2234
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.38
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.89
LogP (Chemaxon):4.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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