Chemical ID: 7047816

Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccco4
Chemical ID:
7047816
Name [?]:
[3-oxo-2-(p-tolylmethylene)benzofuran-6-yl] furan-2-carboxylate
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccco4
InChi [?]:
InChI=1/C21H14O5/c1-13-4-6-14(7-5-13)11-19-20(22)16-9-8-15(12-18(16)26-19)25-21(23)17-3-2-10-24-17/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,3,7,4,6,14,13,25,8,16,2,5,15,12,22,17,9,10,20,11,21,26,19,18/E:(4,5)(6,7)/rA:26nCCCCCCCCCCOCCCCCCOOCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14O5
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3431
Area:556.405
Solvation:-3.56699
Coulombic:-46.4309
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:346.333
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.27
LogP (Chemaxon):3.98

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