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Chemical ID: 7047877
Chemical ID:
7047877
Name [?]:
[2-[(2-ethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzoate
SMILES [?]:
CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C25H20O6/c1-3-29-21-7-5-4-6-17(21)14-23-24(26)20-13-12-19(15-22(20)31-23)30-25(27)16-8-10-18(28-2)11-9-16/h4-15H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,7,6,8,5,25,29,26,28,16,15,10,18,24,9,27,17,14,4,19,11,12,22,13,23,30,3,21,20/E:(8,9)(10,11)/rA:31nCCOCCCCCCCCCOCCCCCCOOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20O6 |
All Atoms: | 51 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5357 |
Area: | 663.668 |
Solvation: | -5.05601 |
Coulombic: | -53.2347 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 416.423 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.39 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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