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Chemical ID: 6509692
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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Experimental Annotations
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Descriptor Annotations
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