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1,2-Epoxydodecane

CAT: 0127-OR95213-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR95213-01Size:5 g
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CAS Number
2855-19-8
MDL Number
MFCD00005150
Purity
95%
Smiles
CCCCCCCCCCC1CO1

Chemical Information

1,2-Epoxydodecane

1,2-epoxydodecane is a clear colorless liquid. (NTP, 1992)

CAS Number2855-19-8
PubChem CID17858
IUPAC Name2-decyloxirane
Molecular FormulaC12H24O
Molecular Weight184.32
XLogP5.2
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Heavy Atom Count13
Formal Charge0
Complexity112
SMILES
CCCCCCCCCCC1CO1
InChI
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3
InChIKey
MPGABYXKKCLIRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Epoxydodecane
CAS: 2855-19-8
CID: 17858
Formula: C12H24O
MW: 184.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.32
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass184.182715385
Monoisotopic Mass184.182715385
Topological Polar Surface Area12.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity112
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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