Chemical ID: 5457825

CCOc1cc(ccc1OCc2ccc(o2)C(=O)O)C=O
Chemical ID:
5457825
Name [?]:
5-[(2-ethoxy-4-formyl-phenoxy)methyl]furan-2-carboxylic acid
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(o2)C(=O)O)C=O
InChi [?]:
InChI=1/C15H14O6/c1-2-19-14-7-10(8-16)3-5-12(14)20-9-11-4-6-13(21-11)15(17)18/h3-8H,2,9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,7,13,8,14,5,20,11,6,12,9,15,4,17,21,18,19,3,10,16/E:(17,18)/rA:21nCCOCCCCCCOCCCCCOCOOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s13;d14;s12s15;s15;d17;s17;s6;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.31204
Area:508.478
Solvation:-7.3999
Coulombic:-56.4622
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:290.268
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.74
LogP (Chemaxon):1.56

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Descriptor Annotations

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