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Chemical ID: 5003164
Chemical ID:
5003164
Name [?]:
1-[4-[2-(3,4-dimethoxyphenyl)-2-oxo-ethoxy]-3-methoxy-phenyl]ethanone
SMILES [?]:
CC(=O)c1ccc(c(c1)OC)OCC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H20O6/c1-12(20)13-5-8-17(19(9-13)24-4)25-11-15(21)14-6-7-16(22-2)18(10-14)23-3/h5-10H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,23,11,5,17,18,6,9,21,13,2,4,16,14,19,7,20,8,3,15,24,22,10,12/rA:25nCCOCCCCCCOCOCCOCCCCCCOCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s7;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20O6 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.24565 |
Area: | 567.926 |
Solvation: | -10.9525 |
Coulombic: | -41.3203 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 344.358 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.31 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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