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Chemical ID: 3997700
Chemical ID:
3997700
Name [?]:
methyl 5-[(4-formyl-2-methoxy-phenoxy)methyl]furan-2-carboxylate
SMILES [?]:
COc1cc(ccc1OCc2ccc(o2)C(=O)OC)C=O
InChi [?]:
InChI=1/C15H14O6/c1-18-14-7-10(8-16)3-5-12(14)20-9-11-4-6-13(21-11)15(17)19-2/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,6,12,7,13,4,20,10,5,11,8,14,3,16,21,17,2,18,9,15/rA:21nCOCCCCCCOCCCCCOCOOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;s11s14;s14;d16;s16;s18;s5;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O6 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.97835 |
Area: | 506.6 |
Solvation: | -7.68666 |
Coulombic: | -48.4577 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 290.268 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.64 |
LogP (Chemaxon): | 1.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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