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Cyclohexane-1,3-dione-13C3

CAT: 0804-HY-W777266-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W777266-01Size:1 mg
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Description
Cyclohexane-1,3-dione-13C3 is the 13C-labeled Cyclohexane-1,3-dione. Cyclohexane-1,3-dione is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
1184998-71-7
UNSPSC
12352211
Target
Biochemical Assay Reagents; Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O=[13C]1[13CH2][13C](CCC1)=O
Molecular Formula
C3 13C3H8O2
Molecular Weight
115.10
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1,3-Cyclohexanedione-1,2,3-13C3
CAS Number1184998-71-7
PubChem CID45038748
IUPAC Name(1,2,3-13C3)cyclohexane-1,3-dione
Molecular FormulaC6H8O2
Molecular Weight115.10
XLogP0
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity112
SMILES
C1C[13C](=O)[13CH2][13C](=O)C1
InChI
InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2/i4+1,5+1,6+1
InChIKey
HJSLFCCWAKVHIW-VMGGCIAMSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Cyclohexanedione-1,2,3-13C3
CAS: 1184998-71-7
CID: 45038748
Formula: C6H8O2
MW: 115.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.10
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass115.062494000
Monoisotopic Mass115.062494000
Topological Polar Surface Area34.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity112
Isotope Atom Count3
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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