Chemical ID: 5269101

CCOC(=O)COc1ccc2c(c1)OC(=Cc3ccco3)C2=O
Chemical ID:
5269101
Name [?]:
ethyl 2-[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl]oxyacetate
SMILES [?]:
CCOC(=O)COc1ccc2c(c1)OC(=Cc3ccco3)C2=O
InChi [?]:
InChI=1/C17H14O6/c1-2-20-16(18)10-22-12-5-6-13-14(8-12)23-15(17(13)19)9-11-4-3-7-21-11/h3-9H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,18,9,10,20,13,16,6,17,8,11,12,15,4,22,5,23,3,21,7,14/rA:23nCCOCOCOCCCCCCOCCCCCCOCO/rB:s1;s2;s3;d4;s4;s6;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:0
ZAP Information [?]
Total:7.14125
Area:533.681
Solvation:-6.20078
Coulombic:-48.2256
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:314.289
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.37
LogP (Chemaxon):1.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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