ChemDB: Chemical Search
Download
Chemical ID: 6879788
Chemical ID:
6879788
Name [?]:
2-[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)[O-]
InChi [?]:
InChI=1/C16H12O6/c1-9-4-5-11-10(7-9)14(19)16(21-8-13(17)18)15(22-11)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,15,14,3,4,16,7,19,2,6,5,13,20,8,11,10,21,22,9,17,18,12/E:(17,18)/rA:22nCCCCCCCCOCCOCCCCOOCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11O6- |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -36.8928 |
Area: | 471.059 |
Solvation: | -48.6693 |
Coulombic: | -30.2187 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 299.255 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.91 |
LogP (Chemaxon): | 2.32 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|