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Chemical ID: 6913601
Chemical ID:
6913601
Name [?]:
methyl 5-[(2-acetylphenoxy)methyl]furan-2-carboxylate
SMILES [?]:
CC(=O)c1ccccc1OCc2ccc(o2)C(=O)OC
InChi [?]:
InChI=1/C15H14O5/c1-10(16)12-5-3-4-6-13(12)19-9-11-7-8-14(20-11)15(17)18-2/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,6,7,5,8,13,14,11,2,12,4,9,15,17,3,18,19,10,16/rA:20nCCOCCCCCCOCCCCCOCOOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s13;d14;s12s15;s15;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O5 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.00148 |
Area: | 482.182 |
Solvation: | -6.05307 |
Coulombic: | -41.8372 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 274.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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