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Chemical ID: 7700179
Chemical ID:
7700179
Name [?]:
None
SMILES [?]:
CCOC(=O)c1ccc(c(c1)OC)OC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C18H18O5/c1-4-22-17(19)14-9-10-15(16(11-14)21-3)23-18(20)13-7-5-12(2)6-8-13/h5-11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,13,2,19,21,18,22,7,8,11,20,17,6,9,10,4,15,5,16,12,3,14/E:(5,6)(7,8)/rA:23nCCOCOCCCCCCOCOCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;s9;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O5 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0665 |
Area: | 537.689 |
Solvation: | -3.3757 |
Coulombic: | -48.5824 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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