Chemical ID: 6509692

Cc1ccc(cc1)C(=O)C2CCCCC2C(=O)O
Chemical ID:
6509692
Name [?]:
2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)C(=O)C2CCCCC2C(=O)O
InChi [?]:
InChI=1/C15H18O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h6-9,12-13H,2-5H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,3,7,4,6,2,5,10,15,8,16,9,17,18/E:(6,7)(8,9)(17,18)/rA:18cCCCCCCCCOCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:7.20127
Area:412.609
Solvation:-3.11395
Coulombic:-34.6149
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:246.302
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.05
LogP (Chemaxon):3.03

Name Annotations

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Descriptor Annotations

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