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4-phenylmethoxycyclohexan-1-ol

CAT: 1266-JH245354Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH245354Size:1 Each
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CAS Number
2976-80-9
UN Code
UN 2811
Hazard Statement
Xn
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C13H18O2
Molecular Weight
206.28
Product Name Synonym
4- (Benzyloxy) cyclohexanol (cis / trans mixture)
Physical Properties
White crystal pellet
Hazardous Class
9
Safety Statements
S24/25
Density
1.078g/cm3
Flash Point
135.834oC
RIDADR
UN 2811
Melting Point
136oC

Chemical Information

4-(Benzyloxy)cyclohexanol
CAS Number2976-80-9
PubChem CID13181637
IUPAC Name4-phenylmethoxycyclohexan-1-ol
Molecular FormulaC13H18O2
Molecular Weight206.28
XLogP2.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity167
SMILES
C1CC(CCC1O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H18O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKey
GDGBMTDJFHTXID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Benzyloxy)cyclohexanol
CAS: 2976-80-9
CID: 13181637
Formula: C13H18O2
MW: 206.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.28
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass206.130679813
Monoisotopic Mass206.130679813
Topological Polar Surface Area29.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity167
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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