Chemical ID: 6879797

CCCCOC(=O)COc1c(=O)c2cc(ccc2oc1c3ccco3)C
Chemical ID:
6879797
Name [?]:
butyl 2-[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
CCCCOC(=O)COc1c(=O)c2cc(ccc2oc1c3ccco3)C
InChi [?]:
InChI=1/C20H20O6/c1-3-4-9-24-17(21)12-25-20-18(22)14-11-13(2)7-8-15(14)26-19(20)16-6-5-10-23-16/h5-8,10-11H,3-4,9,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,3,23,22,16,17,4,24,14,8,15,13,18,21,6,11,20,10,7,12,25,5,9,19/rA:26nCCCCOCOCOCCOCCCCCCOCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s22;d23;s21s24;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20O6
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.40751
Area:580.397
Solvation:-5.10242
Coulombic:-52.1522
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.369
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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