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Chemical ID: 4564684
Chemical ID:
4564684
Name [?]:
[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-chromen-7-yl] 5-acetoxy-2-methyl-benzofuran-3-carboxylate
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OC(=O)c3c(oc4c3cc(cc4)OC(=O)C)C)c5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C30H24O9/c1-15-27(18-6-10-24(34-4)26(12-18)35-5)29(32)21-9-7-20(14-25(21)37-15)39-30(33)28-16(2)36-23-11-8-19(13-22(23)28)38-17(3)31/h6-14H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,29,28,39,37,31,8,23,7,32,24,35,21,10,2,17,26,30,22,9,6,20,19,33,11,34,3,16,4,14,27,5,15,38,36,18,12,25,13/rA:39nCCCCOCCCCCCOOCOCCOCCCCCCOCOCCCCCCCCOCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;d14;s14;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s22;s25;d26;s26;s17;s3;s30;d31;s32;d33;d30s34;s34;s36;s33;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H24O9 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1516 |
Area: | 780.202 |
Solvation: | -8.35347 |
Coulombic: | -72.0173 |
Bond Count [?]
All: | 43 |
Single: | 29 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 528.506 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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