Chemical ID: 5293281

CCc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCC(=O)OCC
Chemical ID:
5293281
Name [?]:
ethyl 2-[2-[(4-ethylphenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetate
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCC(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.99232
Area:588.782
Solvation:-4.72723
Coulombic:-44.7863
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:352.38
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.57
LogP (Chemaxon):3.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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