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Chemical ID: 4952079
Chemical ID:
4952079
Name [?]:
2-cyclohexylhexanoic acid
SMILES [?]:
CCCCC(C1CCCCC1)C(=O)O
InChi [?]:
InChI=1/C12H22O2/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,10,7,11,4,6,5,12,13,14/E:(5,6)(7,8)(13,14)/rA:14cCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s5;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.39524 |
Area: | 386.387 |
Solvation: | -1.26444 |
Coulombic: | -28.5748 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 198.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.62 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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