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3-Cyclohexyl-1-propanol

CAT: 0127-OR920665Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR920665Size:1 Each
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CAS Number
1124-63-6
MDL Number
MFCD00001528
Purity
99%
Smiles
OCCCC1CCCCC1

Chemical Information

3-Cyclohexyl-1-propanol
CAS Number1124-63-6
PubChem CID70763
IUPAC Name3-cyclohexylpropan-1-ol
Molecular FormulaC9H18O
Molecular Weight142.24
XLogP3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity74
SMILES
C1CCC(CC1)CCCO
InChI
InChI=1S/C9H18O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2
InChIKey
CLYAQFSQLQTVNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyclohexyl-1-propanol
CAS: 1124-63-6
CID: 70763
Formula: C9H18O
MW: 142.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight142.24
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass142.135765193
Monoisotopic Mass142.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity74.8
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