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Chemical ID: 5146408
Chemical ID:
5146408
Name [?]:
12-(p-tolyl)dodecanoic acid
SMILES [?]:
Cc1ccc(cc1)CCCCCCCCCCCC(=O)O
InChi [?]:
InChI=1/C19H30O2/c1-17-13-15-18(16-14-17)11-9-7-5-3-2-4-6-8-10-12-19(20)21/h13-16H,2-12H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,15,10,16,9,17,8,18,3,7,4,6,2,5,19,20,21/E:(13,14)(15,16)(20,21)/rA:21nCCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7618 |
Area: | 588.875 |
Solvation: | -1.96007 |
Coulombic: | -29.7635 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 290.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.12 |
LogP (Chemaxon): | 6.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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