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1-Phenyl-1-cyclohexene

CAT: 0024-sc-224784Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-224784Size:5 g
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CAS Number
771-98-2

Chemical Information

1-Phenylcyclohexene

3-cyclohexen-1-yl-Benzene is a member of benzenes.

CAS Number771-98-2
PubChem CID13043
IUPAC Namecyclohexen-1-ylbenzene
Molecular FormulaC12H14
Molecular Weight158.24
XLogP4.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity161
SMILES
C1CCC(=CC1)C2=CC=CC=C2
InChI
InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2
InChIKey
WCMSFBRREKZZFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenylcyclohexene
CAS: 771-98-2
CID: 13043
Formula: C12H14
MW: 158.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight158.24
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass158.109550447
Monoisotopic Mass158.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity161
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