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Chemical ID: 5457825
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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