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Chemical ID: 6682389
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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