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Chemical ID: 5754553
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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