Chemical ID: 6682389

CCCCCCC(CCCCCCCCCCC(=O)O)O
Chemical ID:
6682389
Name [?]:
12-hydroxyoctadecanoic acid
SMILES [?]:
CCCCCCC(CCCCCCCCCCC(=O)O)O
InChi [?]:
InChI=1/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,12,13,11,14,10,15,5,9,16,6,8,17,7,18,21,19,20/E:(20,21)/rA:21cCCCCCCCCCCCCCCCCCCOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H36O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:12.8426
Area:624.623
Solvation:-2.77303
Coulombic:-46.0232
Bond Count [?]
All:20
Single:19
Double:1
Rotors:16
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:300.477
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.57
LogP (Chemaxon):5.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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