Chemical ID: 3997700

COc1cc(ccc1OCc2ccc(o2)C(=O)OC)C=O
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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Descriptor Annotations

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