Chemical ID: 4259216

CCCCCc1ccc(cc1)C(=O)O
Chemical ID:
4259216
Name [?]:
4-pentylbenzoic acid
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)O
InChi [?]:
InChI=1/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,7,11,8,10,6,9,12,13,14/E:(6,7)(8,9)(13,14)/rA:14nCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.63908
Area:398.684
Solvation:-1.32801
Coulombic:-30.2424
Bond Count [?]
All:14
Single:10
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:192.254
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.24
LogP (Chemaxon):3.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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