Chemical ID: 5146408

Cc1ccc(cc1)CCCCCCCCCCCC(=O)O
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

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Descriptor Annotations

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