Chemical ID: 7341973

CC(=O)COc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OC)C2=O
Chemical ID:
7341973
Name [?]:
6-acetonyloxy-2-[(3,4-dimethoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
CC(=O)COc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OC)C2=O
InChi [?]:
InChI=1/C20H18O6/c1-12(21)11-25-14-5-6-15-17(10-14)26-19(20(15)22)9-13-4-7-16(23-2)18(8-13)24-3/h4-10H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,16,7,8,17,20,14,11,4,2,15,6,9,18,10,19,13,25,3,26,23,21,5,12/rA:26nCCOCOCCCCCCOCCCCCCCCOCOCCO/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s9s13;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O6
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.65823
Area:580.875
Solvation:-8.86365
Coulombic:-43.9169
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:354.353
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.76
LogP (Chemaxon):2.66

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Descriptor Annotations

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