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Dodecane-13C12

CAT: 0572-TRC-D494626-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D494626-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
287399-43-3
Hazard Statement
Combustible liquid
Smiles
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH3]
Molecular Formula
¹³C12H26
Molecular Weight
182.25
InChI
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
Additionnal Information
IUPAC name: dodecane-13C12
Shipping Conditions
Room Temperature

Chemical Information

(~13~C_12_)Dodecane
CAS Number287399-43-3
PubChem CID71309250
IUPAC Name(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
Molecular FormulaC12H26
Molecular Weight182.25
XLogP6.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Heavy Atom Count12
Formal Charge0
Complexity56
SMILES
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH3]
InChI
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
InChIKey
SNRUBQQJIBEYMU-WCGVKTIYSA-N
Chemical Structure
2D Structure
2D structure of (~13~C_12_)Dodecane
CAS: 287399-43-3
CID: 71309250
Formula: C12H26
MW: 182.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.25
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Exact Mass182.24370885
Monoisotopic Mass182.24370885
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity56.4
Isotope Atom Count12
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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