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Chemical ID: 7316617
Chemical ID:
7316617
Name [?]:
(4-acetylphenyl) 2-(3-acetylphenoxy)acetate
SMILES [?]:
CC(=O)c1ccc(cc1)OC(=O)COc2cccc(c2)C(=O)C
InChi [?]:
InChI=1/C18H16O5/c1-12(19)14-6-8-16(9-7-14)23-18(21)11-22-17-5-3-4-15(10-17)13(2)20/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,17,18,16,5,9,6,8,20,13,2,21,4,19,7,15,11,3,22,12,14,10/E:(6,7)(8,9)/rA:23nCCOCCCCCCOCOCOCCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16O5 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59048 |
Area: | 540.292 |
Solvation: | -5.91681 |
Coulombic: | -40.8086 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.317 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.62 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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