Chemical ID: 6684481

c1ccc(cc1)CCCCCC(=O)O
Chemical ID:
6684481
Name [?]:
6-phenylhexanoic acid
SMILES [?]:
c1ccc(cc1)CCCCCC(=O)O
InChi [?]:
InChI=1/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,9,2,6,8,10,3,5,7,11,4,12,13,14/E:(3,4)(7,8)(13,14)/rA:14nCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.19136
Area:403.747
Solvation:-1.90233
Coulombic:-28.1717
Bond Count [?]
All:14
Single:10
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:192.254
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.33
LogP (Chemaxon):3.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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