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Diphenyl ether-13C12

CAT: 0804-HY-W751145Size: 1 EachDry Ice: NoHazardous: No
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Description
Diphenyl ether-13C12 is 13C labeled Diphenyl ether. Oxydibenzene is a biochemical reagent that can be used as a biological material or organic compound for life science related research[1].
CAS Number
2483735-44-8
Product Name Alternative
Phenyl ether-13C12
UNSPSC
12352005
Target
Biochemical Assay Reagents; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/diphenyl-ether-13c12.html
Smiles
[13C]1(O[13C]2=[13CH][13CH]=[13CH][13CH]=[13CH]2)=[13CH][13CH]=[13CH][13CH]=[13CH]1
Molecular Formula
13C12H10O
Molecular Weight
182.12
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Phenyl Ether-13C12
CAS Number2483735-44-8
PubChem CID171380506
IUPAC Name(1,2,3,4,5,6-13C6)cyclohexatrienyloxy(1,2,3,4,5,6-13C6)cyclohexatriene
Molecular FormulaC12H10O
Molecular Weight182.119
XLogP4.2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity116
SMILES
[13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)O[13C]2=[13CH][13CH]=[13CH][13CH]=[13CH]2
InChI
InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H/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
USIUVYZYUHIAEV-WCGVKTIYSA-N
Chemical Structure
2D Structure
2D structure of Phenyl Ether-13C12
CAS: 2483735-44-8
CID: 171380506
Formula: C12H10O
MW: 182.119
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.119
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass182.11342296
Monoisotopic Mass182.11342296
Topological Polar Surface Area9.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity116
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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