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Chemical ID: 4146773
Chemical ID:
4146773
Name [?]:
[3-(4-methoxyphenoxy)-4-oxo-chromen-7-yl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC
InChi [?]:
InChI=1/C24H18O7/c1-27-16-5-3-15(4-6-16)24(26)31-19-11-12-20-21(13-19)29-14-22(23(20)25)30-18-9-7-17(28-2)8-10-18/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,5,7,4,8,26,28,25,29,13,14,17,19,6,3,27,24,12,15,16,20,21,9,22,10,2,30,18,23,11/E:(3,4)(5,6)(7,8)(9,10)/rA:31nCOCCCCCCCOOCCCCCCOCCCOOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s15s20;d21;s20;s23;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18O7 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66011 |
Area: | 642.006 |
Solvation: | -6.39003 |
Coulombic: | -58.3454 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 418.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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