Chemical ID: 6879788

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)[O-]
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

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Experimental Annotations

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Descriptor Annotations

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