Chemical ID: 4736627

CCCCc1ccc(cc1)C(=O)O
Chemical ID:
4736627
Name [?]:
4-butylbenzoic acid
SMILES [?]:
CCCCc1ccc(cc1)C(=O)O
InChi [?]:
InChI=1/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,6,10,7,9,5,8,11,12,13/E:(5,6)(7,8)(12,13)/rA:13nCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.96021
Area:371.847
Solvation:-1.33596
Coulombic:-29.9385
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:178.228
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.68
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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