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Chemical ID: 6843957
Chemical ID:
6843957
Name [?]:
[4-oxo-3-(2,3,5-trimethylphenoxy)-chromen-7-yl] 2,2-dimethylpropanoate
SMILES [?]:
Cc1cc(c(c(c1)Oc2coc3cc(ccc3c2=O)OC(=O)C(C)(C)C)C)C
InChi [?]:
InChI=1/C23H24O5/c1-13-9-14(2)15(3)18(10-13)28-20-12-26-19-11-16(7-8-17(19)21(20)24)27-22(25)23(4,5)6/h7-12H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,28,27,24,25,26,15,16,3,7,13,10,2,4,5,14,17,6,12,9,18,21,23,19,22,11,20,8/E:(4,5,6)/rA:28nCCCCCCCOCCOCCCCCCCOOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;d21;s21;s23;s23;s23;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24O5 |
All Atoms: | 52 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6322 |
Area: | 600.76 |
Solvation: | -3.38682 |
Coulombic: | -43.8457 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 380.434 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.12 |
LogP (Chemaxon): | 6.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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