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Chemical ID: 7343153
Chemical ID:
7343153
Name [?]:
7-methyl-6-(2-methylprop-2-enoxy)-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
Cc1c(ccc2c1OC(=Cc3cc(c(c(c3)OC)OC)OC)C2=O)OCC(=C)C
InChi [?]:
InChI=1/C23H24O6/c1-13(2)12-28-17-8-7-16-21(24)18(29-22(16)14(17)3)9-15-10-19(25-4)23(27-6)20(11-15)26-5/h7-11H,1,12H2,2-6H3
InChi Info:
AuxInfo=1/0/N:28,29,1,18,22,20,5,4,10,16,12,26,27,2,11,6,3,9,15,13,23,7,14,24,17,21,19,25,8/E:(4,5)(10,11)(19,20)(25,26)/rA:29nCCCCCCCOCCCCCCCCOCOCOCCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s13;s21;s6s9;d23;s3;s25;s26;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24O6 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.79342 |
Area: | 602.311 |
Solvation: | -7.26436 |
Coulombic: | -47.9668 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 396.433 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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