Chemical ID: 4259217

CCCCCCCc1ccc(cc1)C(=O)O
Chemical ID:
4259217
Name [?]:
4-heptylbenzoic acid
SMILES [?]:
CCCCCCCc1ccc(cc1)C(=O)O
InChi [?]:
InChI=1/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,9,13,10,12,8,11,14,15,16/E:(8,9)(10,11)(15,16)/rA:16nCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.9667
Area:452.565
Solvation:-1.34741
Coulombic:-30.8503
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:220.307
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.38
LogP (Chemaxon):4.41

Name Annotations

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Descriptor Annotations

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