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Chemical ID: 5584612
Chemical ID:
5584612
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C=O)OCCOCCOc3cc(ccc3OCCOCCO2)C=O
InChi [?]:
InChI=1/C22H24O8/c23-15-17-1-3-19-21(13-17)29-11-7-26-8-12-30-22-14-18(16-24)2-4-20(22)28-10-6-25-5-9-27-19/h1-4,13-16H,5-12H2
InChi Info:
AuxInfo=1/0/N:1,19,2,20,26,24,11,13,27,23,10,14,5,17,7,29,6,18,3,21,4,16,8,30,25,12,28,22,9,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(27,28)(29,30)/rA:30nCCCCCCCOOCCOCCOCCCCCCOCCOCCOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s4;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;s25;s26;s3s27;s18;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24O8 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.00538 |
Area: | 607.775 |
Solvation: | -13.189 |
Coulombic: | -56.9696 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 416.421 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 2.3 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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