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Trans-4-Ethylcyclohexanecarboxylic acid

CAT: 0024-sc-272655Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-272655Size:1 g
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CAS Number
6833-47-2

Chemical Information

4-Ethylcyclohexanecarboxylic Acid
CAS Number6833-47-2
PubChem CID1490288
IUPAC Name4-ethylcyclohexane-1-carboxylic acid
Molecular FormulaC9H16O2
Molecular Weight156.22
XLogP2.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
CCC1CCC(CC1)C(=O)O
InChI
InChI=1S/C9H16O2/c1-2-7-3-5-8(6-4-7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChIKey
UNROFSAOTBVBBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethylcyclohexanecarboxylic Acid
CAS: 6833-47-2
CID: 1490288
Formula: C9H16O2
MW: 156.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.22
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass156.115029749
Monoisotopic Mass156.115029749
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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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