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Chemical ID: 6879650
Chemical ID:
6879650
Name [?]:
[2-(4-methoxyphenyl)-6-methyl-4-oxo-chromen-3-yl] furan-2-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)c4ccco4
InChi [?]:
InChI=1/C22H16O6/c1-13-5-10-17-16(12-13)19(23)21(28-22(24)18-4-3-11-26-18)20(27-17)14-6-8-15(25-2)9-7-14/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,26,25,3,14,18,15,17,4,27,7,2,13,16,6,5,24,8,11,10,22,9,23,19,28,12,21/E:(6,7)(8,9)/rA:28nCCCCCCCCOCCOCCCCCCOCOCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16O6 |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75545 |
Area: | 574.862 |
Solvation: | -4.61609 |
Coulombic: | -53.6693 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.51 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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