Chemical ID: 4994854

c1ccc(cc1)C(=O)C2CCCCC2C(=O)O
Chemical ID:
4994854
Name [?]:
2-benzoylcyclohexane-1-carboxylic acid
SMILES [?]:
c1ccc(cc1)C(=O)C2CCCCC2C(=O)O
InChi [?]:
InChI=1/C14H16O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-3,6-7,11-12H,4-5,8-9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,12,3,5,10,13,4,9,14,7,15,8,16,17/E:(2,3)(6,7)(16,17)/rA:17cCCCCCCCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:6.63223
Area:389.047
Solvation:-3.09394
Coulombic:-34.864
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.275
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.62
LogP (Chemaxon):2.56

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