Chemical ID: 5754553

Cc1ccc(cc1)CCCC(=O)O
Chemical ID:
5754553
Name [?]:
4-(p-tolyl)butanoic acid
SMILES [?]:
Cc1ccc(cc1)CCCC(=O)O
InChi [?]:
InChI=1/C11H14O2/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,3,7,4,6,2,5,11,12,13/E:(5,6)(7,8)(12,13)/rA:13nCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.37923
Area:373.405
Solvation:-1.95588
Coulombic:-27.2185
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:178.228
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.62
LogP (Chemaxon):2.94

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Descriptor Annotations

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