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Chemical ID: 6847277
Chemical ID:
6847277
Name [?]:
[5,7-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl] furan-2-carboxylate
SMILES [?]:
Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OC(=O)c4ccco4
InChi [?]:
InChI=1/C23H18O5/c1-13-6-8-16(9-7-13)21-22(28-23(25)17-5-4-10-26-17)20(24)19-15(3)11-14(2)12-18(19)27-21/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,26,25,3,7,4,6,27,14,16,2,15,13,5,24,17,12,10,8,9,22,11,23,28,18,21/E:(6,7)(8,9)/rA:28nCCCCCCCCCCOCCCCCCOCCOCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s13;s9;s21;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O5 |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0684 |
Area: | 572.637 |
Solvation: | -3.24752 |
Coulombic: | -47.2307 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 374.386 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.47 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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