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Chemical ID: 4574416
Chemical ID:
4574416
Name [?]:
[2-[(4-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 3-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H18O6/c1-27-17-8-6-15(7-9-17)12-22-23(25)20-11-10-19(14-21(20)30-22)29-24(26)16-4-3-5-18(13-16)28-2/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,25,24,26,5,7,4,8,15,14,9,28,17,6,23,3,27,16,13,18,10,11,21,12,22,2,29,20,19/E:(6,7)(8,9)/rA:30nCOCCCCCCCCCOCCCCCCOOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18O6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2985 |
Area: | 628.41 |
Solvation: | -5.41178 |
Coulombic: | -52.2537 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 402.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.96 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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