ChemDB: Chemical Search
Download
Chemical ID: 5269101
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|