Chemical ID: 4573248

CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc3ccco3)C2=O
Chemical ID:
4573248
Name [?]:
isopropyl 2-[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl]oxyacetate
SMILES [?]:
CC(C)OC(=O)COc1ccc2c(c1)OC(=Cc3ccco3)C2=O
InChi [?]:
InChI=1/C18H16O6/c1-11(2)23-17(19)10-22-13-5-6-14-15(8-13)24-16(18(14)20)9-12-4-3-7-21-12/h3-9,11H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,10,11,21,14,17,7,2,18,9,12,13,16,5,23,6,24,22,8,4,15/E:(1,2)/rA:24nCCCOCOCOCCCCCCOCCCCCCOCO/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;w16;s17;d18;s19;d20;s18s21;s12s16;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.6328
Area:547.855
Solvation:-6.06358
Coulombic:-48.4867
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:328.316
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.83
LogP (Chemaxon):2.36

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Descriptor Annotations

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