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α- (2-Phenylethynyl) cyclohexanemethanol

CAT: 0127-OR1082212-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1082212-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130708-23-5
MDL Number
MFCD09037233
Purity
97%
Smiles
C (C#Cc1ccccc1) (O) C1CCCCC1

Chemical Information

alpha-(2-Phenylethynyl)cyclohexanemethanol
CAS Number130708-23-5
PubChem CID11042123
IUPAC Name1-cyclohexyl-3-phenylprop-2-yn-1-ol
Molecular FormulaC15H18O
Molecular Weight214.30
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity258
SMILES
C1CCC(CC1)C(C#CC2=CC=CC=C2)O
InChI
InChI=1S/C15H18O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-10H2
InChIKey
JLHUBNFRCIAJCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-(2-Phenylethynyl)cyclohexanemethanol
CAS: 130708-23-5
CID: 11042123
Formula: C15H18O
MW: 214.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.30
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass214.135765193
Monoisotopic Mass214.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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