Chemical ID: 4575177

CC(C(=O)OC)Oc1ccc2c(c1)OC(=Cc3ccco3)C2=O
Chemical ID:
4575177
Name [?]:
methyl 2-[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl]oxypropanoate
SMILES [?]:
CC(C(=O)OC)Oc1ccc2c(c1)OC(=Cc3ccco3)C2=O
InChi [?]:
InChI=1/C17H14O6/c1-10(17(19)20-2)22-12-5-6-13-14(9-12)23-15(16(13)18)8-11-4-3-7-21-11/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,19,18,9,10,20,16,13,2,17,8,11,12,15,22,3,23,4,5,21,7,14/rA:23cCCCOOCOCCCCCCOCCCCCCOCO/rB:s1;s2;d3;s3;s5;s2;s7;s8;d9;s10;d11;d8s12;s12;s14;w15;s16;d17;s18;d19;s17s20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.1763
Area:520.692
Solvation:-5.841
Coulombic:-49.1881
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:314.289
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.48
LogP (Chemaxon):2.14

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