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Trans-4-Butylcyclohexanecarboxylic acid

CAT: 0127-OR912272-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR912272-01Size:25 g
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CAS Number
38289-28-0
MDL Number
MFCD00059560
Purity
98%
Smiles
CCCC[C@@H]1CC[C@H](CC1)C(=O)O

Chemical Information

4-Butylcyclohexanecarboxylic Acid (cis-and trans-mixture)
CAS Number38289-28-0
PubChem CID2060518
IUPAC Name4-butylcyclohexane-1-carboxylic acid
Molecular FormulaC11H20O2
Molecular Weight184.27
XLogP3.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity157
SMILES
CCCCC1CCC(CC1)C(=O)O
InChI
InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKey
BALGERHMIXFENA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Butylcyclohexanecarboxylic Acid (cis-and trans-mixture)
CAS: 38289-28-0
CID: 2060518
Formula: C11H20O2
MW: 184.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.27
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass184.146329876
Monoisotopic Mass184.146329876
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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