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Chemical ID: 4575094
Chemical ID:
4575094
Name [?]:
6-[2-(4-methoxyphenyl)-2-oxo-ethoxy]-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one
SMILES [?]:
Cc1ccc(o1)C=C2C(=O)c3ccc(cc3O2)OCC(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H18O6/c1-14-3-6-18(28-14)12-22-23(25)19-10-9-17(11-21(19)29-22)27-13-20(24)15-4-7-16(26-2)8-5-15/h3-12H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,3,23,27,4,24,26,13,12,15,7,19,2,22,25,14,5,11,20,16,8,9,21,10,28,18,6,17/E:(4,5)(7,8)/rA:29nCCCCCOCCCOCCCCCCOOCCOCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55702 |
Area: | 616.694 |
Solvation: | -7.86033 |
Coulombic: | -43.6077 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.385 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.72 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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