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Chemical ID: 5767307
Chemical ID:
5767307
Name [?]:
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-15,17,19-triene-17-carbaldehyde
SMILES [?]:
c1cc2c(cc1C=O)OCCOCCOCCOCCO2
InChi [?]:
InChI=1/C15H20O6/c16-12-13-1-2-14-15(11-13)21-10-8-19-6-4-17-3-5-18-7-9-20-14/h1-2,11-12H,3-10H2
InChi Info:
AuxInfo=1/0/N:1,2,16,14,17,13,19,11,20,10,5,7,6,3,4,8,15,18,12,21,9/rA:21nCCCCCCCOOCCOCCOCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s4;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s3s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20O6 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.55223 |
Area: | 465.499 |
Solvation: | -7.08524 |
Coulombic: | -48.2268 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 296.316 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.77 |
LogP (Chemaxon): | 0.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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