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Chemical ID: 6879797
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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