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Hexadecane-1,2-13C2

CAT: 0024-sc-228285Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-228285Size:100 mg
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CAS Number
158563-27-0

Chemical Information

(1,2-~13~C_2_)Hexadecane
CAS Number158563-27-0
PubChem CID16213304
IUPAC Name(1,2-13C2)hexadecane
Molecular FormulaC16H34
Molecular Weight228.43
XLogP8.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count13
Heavy Atom Count16
Formal Charge0
Complexity92
SMILES
CCCCCCCCCCCCCC[13CH2][13CH3]
InChI
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/i1+1,3+1
InChIKey
DCAYPVUWAIABOU-ZKDXJZICSA-N
Chemical Structure
2D Structure
2D structure of (1,2-~13~C_2_)Hexadecane
CAS: 158563-27-0
CID: 16213304
Formula: C16H34
MW: 228.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.43
XLogP38.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count13
Exact Mass228.272760755
Monoisotopic Mass228.272760755
Topological Polar Surface Area0 Ų
Heavy Atom Count16
Formal Charge0
Complexity92.6
Isotope Atom Count2
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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