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Chemical ID: 6913591
Chemical ID:
6913591
Name [?]:
methyl 5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxylate
SMILES [?]:
Cc1cccc(c1OCc2ccc(o2)C(=O)OC)C
InChi [?]:
InChI=1/C15H16O4/c1-10-5-4-6-11(2)14(10)18-9-12-7-8-13(19-12)15(16)17-3/h4-8H,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,4,3,5,11,12,9,2,6,10,13,7,15,16,17,8,14/E:(1,2)(5,6)(10,11)/rA:19nCCCCCCCOCCCCCOCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;s10s13;s13;d15;s15;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16O4 |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91261 |
Area: | 463.847 |
Solvation: | -3.68356 |
Coulombic: | -37.0231 |
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: | 2.75 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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