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Chemical ID: 5823082
Chemical ID:
5823082
Name [?]:
octadeca-9,12,15-trienoate
SMILES [?]:
CCC=CCC=CCC=CCCCCCCCC(=O)[O-]
InChi [?]:
InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20/E:(19,20)/rA:20nCCCCCCCCCCCCCCCCCCOO-/rB:s1;s2;w3;s4;s5;w6;s7;s8;w9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29O2- |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -29.3008 |
Area: | 588.35 |
Solvation: | -44.0096 |
Coulombic: | -3.59677 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 13 |
Chiral: | 3 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 277.422 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.37 |
LogP (Chemaxon): | 5.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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