Chemical ID: 4573072

COc1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccco4)OC
Chemical ID:
4573072
Name [?]:
[2-[(2,5-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] furan-2-carboxylate
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccco4)OC
InChi [?]:
InChI=1/C22H16O7/c1-25-14-6-8-17(26-2)13(10-14)11-20-21(23)16-7-5-15(12-19(16)29-20)28-22(24)18-4-3-9-27-18/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,25,24,15,4,14,5,26,8,9,17,7,3,16,13,6,23,18,10,11,21,12,22,2,28,27,20,19/rA:29nCOCCCCCCCCCOCCCCCCOOCOCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;s20;d21;s21;d23;s24;d25;s23s26;s6;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16O7
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.61508
Area:600.098
Solvation:-6.38738
Coulombic:-58.8004
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:392.358
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.66
LogP (Chemaxon):3.0

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Descriptor Annotations

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