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Chemical ID: 6879728
Chemical ID:
6879728
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] cyclohexanecarboxylate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)C4CCCCC4
InChi [?]:
InChI=1/C21H20O5/c1-13-9-10-16-15(12-13)18(22)20(19(25-16)17-8-5-11-24-17)26-21(23)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,15,22,26,14,3,4,16,7,2,21,6,5,13,8,11,10,19,9,20,17,12,18/E:(3,4)(6,7)/rA:26nCCCCCCCCOCCOCCCCOOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20O5 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3052 |
Area: | 538.442 |
Solvation: | -3.15587 |
Coulombic: | -44.3528 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.38 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.79 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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