Chemical ID: 4574472

CC(=O)Oc1ccc2c(c1)OC(=Cc3cc(c(c(c3)OC)OC)OC)C2=O
Chemical ID:
4574472
Name [?]:
[3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-6-yl] acetate
SMILES [?]:
CC(=O)Oc1ccc2c(c1)OC(=Cc3cc(c(c(c3)OC)OC)OC)C2=O
InChi [?]:
InChI=1/C20H18O7/c1-11(21)26-13-5-6-14-15(10-13)27-16(19(14)22)7-12-8-17(23-2)20(25-4)18(9-12)24-3/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,25,23,6,7,13,19,15,10,2,14,5,8,9,12,18,16,26,17,3,27,20,24,22,4,11/E:(2,3)(8,9)(17,18)(23,24)/rA:27nCCOOCCCCCCOCCCCCCCCOCOCOCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s16;s24;s8s12;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O7
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.96538
Area:571.019
Solvation:-7.31009
Coulombic:-55.771
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:370.353
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.76
LogP (Chemaxon):2.07

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Descriptor Annotations

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