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Chemical ID: 5284297
Chemical ID:
5284297
Name [?]:
[3-(3-methoxyphenoxy)-2-methyl-4-oxo-chromen-7-yl] 2-methylbenzoate
SMILES [?]:
Cc1ccccc1C(=O)Oc2ccc3c(c2)oc(c(c3=O)Oc4cccc(c4)OC)C
InChi [?]:
InChI=1/C25H20O6/c1-15-7-4-5-10-20(15)25(27)31-19-11-12-21-22(14-19)29-16(2)24(23(21)26)30-18-9-6-8-17(13-18)28-3/h4-14H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,30,4,5,25,3,26,24,6,12,13,28,16,2,18,27,23,11,7,14,15,20,19,8,21,9,29,17,22,10/rA:31nCCCCCCCCOOCCCCCCOCCCOOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;d18;s14s19;d20;s19;s22;s23;d24;s25;d26;d23s27;s27;s29;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20O6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.223 |
Area: | 631.353 |
Solvation: | -4.56086 |
Coulombic: | -52.7777 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 416.423 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.57 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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