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(Cyclohexyloxy) benzene

CAT: 0127-OR1008316-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1008316-01Size:250 mg
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CAS Number
2206-38-4
MDL Number
MFCD31692136
Purity
98%
Smiles
C1CCC(CC1)Oc2ccccc2

Chemical Information

Benzene, (cyclohexyloxy)-
CAS Number2206-38-4
PubChem CID137492
IUPAC Namecyclohexyloxybenzene
Molecular FormulaC12H16O
Molecular Weight176.25
XLogP3.7
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity132
SMILES
C1CCC(CC1)OC2=CC=CC=C2
InChI
InChI=1S/C12H16O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey
OSAOIDIGMBDXED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, (cyclohexyloxy)-
CAS: 2206-38-4
CID: 137492
Formula: C12H16O
MW: 176.25
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.25
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass176.120115130
Monoisotopic Mass176.120115130
Topological Polar Surface Area9.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity132
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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