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Chemical ID: 4161418
Chemical ID:
4161418
Name [?]:
(2-ethoxyphenyl) 2-(2,4-dimethylphenoxy)acetate
SMILES [?]:
CCOc1ccccc1OC(=O)COc2ccc(cc2C)C
InChi [?]:
InChI=1/C18H20O4/c1-4-20-16-7-5-6-8-17(16)22-18(19)12-21-15-10-9-13(2)11-14(15)3/h5-11H,4,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,2,6,7,5,8,17,16,19,13,18,20,15,4,9,11,12,3,14,10/rA:22nCCOCCCCCCOCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8074 |
Area: | 524.651 |
Solvation: | -4.30888 |
Coulombic: | -35.9433 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 300.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.8 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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