Chemical ID: 6856704

Cc1ccc2c(c1)oc(c(c2=O)OC(=O)C)c3ccc(c(c3)OC)OC
Chemical ID:
6856704
Name [?]:
[2-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-chromen-3-yl] acetate
SMILES [?]:
Cc1ccc2c(c1)oc(c(c2=O)OC(=O)C)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C20H18O6/c1-11-5-7-14-16(9-11)26-19(20(18(14)22)25-12(2)21)13-6-8-15(23-3)17(10-13)24-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,26,24,3,18,4,19,7,22,2,14,17,5,20,6,21,11,9,10,15,12,25,23,13,8/rA:26nCCCCCCCOCCCOOCOCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;d14;s14;s9;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O6
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.56391
Area:548.09
Solvation:-6.13833
Coulombic:-49.071
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.353
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.74
LogP (Chemaxon):3.08

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Descriptor Annotations

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