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Chemical ID: 4813706
Chemical ID:
4813706
Name [?]:
methyl 5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxylate
SMILES [?]:
Cc1ccc(cc1C)OCc2ccc(o2)C(=O)OC
InChi [?]:
InChI=1/C15H16O4/c1-10-4-5-12(8-11(10)2)18-9-13-6-7-14(19-13)15(16)17-3/h4-8H,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,19,3,4,12,13,6,10,2,7,5,11,14,16,17,18,9,15/rA:19nCCCCCCCCOCCCCCOCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s12;d13;s11s14;s14;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92146 |
Area: | 475.366 |
Solvation: | -3.96269 |
Coulombic: | -36.3714 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 260.285 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.17 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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