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Penehyclidine Impurity 14

CAT: 1299-RM-P140840-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P140840-01Size:10 mg
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CAS Number
114121-67-4
Synonyms
2-cyclopentyl-2-phenyloxirane
Molecular Formula
C13H16O
Molecular Weight
188.27
Target Alternative Name
Penehyclidine
Product Name Synonym
2-cyclopentyl-2-phenyloxirane

Chemical Information

2-Cyclopentyl-2-phenyloxirane
CAS Number114121-67-4
PubChem CID14591124
IUPAC Name2-cyclopentyl-2-phenyloxirane
Molecular FormulaC13H16O
Molecular Weight188.26
XLogP3
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity201
SMILES
C1CCC(C1)C2(CO2)C3=CC=CC=C3
InChI
InChI=1S/C13H16O/c1-2-6-11(7-3-1)13(10-14-13)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2
InChIKey
YOLLLAGOHDKJRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclopentyl-2-phenyloxirane
CAS: 114121-67-4
CID: 14591124
Formula: C13H16O
MW: 188.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.26
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass188.120115130
Monoisotopic Mass188.120115130
Topological Polar Surface Area12.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity201
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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