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Chemical ID: 5071167
Chemical ID:
5071167
Name [?]:
2-cyclohexylbutanoic acid
SMILES [?]:
CCC(C1CCCCC1)C(=O)O
InChi [?]:
InChI=1/C10H18O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,9,4,3,10,11,12/E:(4,5)(6,7)(11,12)/rA:12cCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s3;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.09119 |
Area: | 334.085 |
Solvation: | -1.26092 |
Coulombic: | -27.9784 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 170.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.48 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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