Chemical ID: 3965168

CCCCCC=CC=CC(CCCCCCCC(=O)O)O
Chemical ID:
3965168
Name [?]:
9-hydroxyoctadeca-10,12-dienoic acid
SMILES [?]:
CCCCCC=CC=CC(CCCCCCCC(=O)O)O
InChi [?]:
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,14,7,13,15,8,12,16,9,11,17,10,18,21,19,20/E:(20,21)/rA:21cCCCCCCCCCCCCCCCCCCOOO/rB:s1;s2;s3;s4;s5;w6;s7;w8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H32O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:12.2705
Area:610.924
Solvation:-3.00259
Coulombic:-46.9315
Bond Count [?]
All:20
Single:17
Double:3
Rotors:14
Chiral:2
Rigid Segments:9
Chemical Properties
Molecular Weight:296.445
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.87
LogP (Chemaxon):4.97

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Descriptor Annotations

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