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Chemical ID: 6847073
Chemical ID:
6847073
Name [?]:
[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl] benzoate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OC(=O)c4ccccc4)C
InChi [?]:
InChI=1/C26H22O6/c1-15-12-16(2)23-19(13-15)22(27)25(32-26(28)17-8-6-5-7-9-17)24(31-23)18-10-11-20(29-3)21(14-18)30-4/h5-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,22,20,29,28,30,27,31,14,15,3,7,18,2,4,26,13,6,16,17,8,5,11,10,24,9,25,21,19,12,23/E:(6,7)(8,9)/rA:32nCCCCCCCCOCCOCCCCCCOCOCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;d24;s24;s26;d27;s28;d29;d26s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22O6 |
All Atoms: | 54 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2908 |
Area: | 645.366 |
Solvation: | -5.84335 |
Coulombic: | -53.3255 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 430.449 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.68 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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