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Catechol-[U-Ring-13C6]

CAT: 1459-CS-EK-00290Size: 1 EachDry Ice: NoHazardous: No
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Description
Catechol-[U-Ring-13C6] is listed under Stable Isotope Reagent and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Catechol. The product is supplied by Clearsynth under CAT No. CS-EK-00290. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
115881-16-8
Synonyms
Catechol-[U-Ring-13C6]
Molecular Formula
13 C 6 H 6 O 2
Molecular Weight
116.07
Additionnal Information
Catechol-[U-Ring-13C6] is supplied with detailed characterization data compliant with regulatory guideline. Catechol-[U-Ring-13C6] can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Catechol.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Catechol-13C6
CAS Number115881-16-8
PubChem CID12196522
IUPAC Name(1,2,3,4,5,6-13C6)cyclohexa-2,4,6-triene-1,2-diol
Molecular FormulaC6H6O2
Molecular Weight116.067
XLogP0.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity62
SMILES
[13CH]1=[13CH][13CH]=[13C]([13C](=[13CH]1)O)O
InChI
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
YCIMNLLNPGFGHC-IDEBNGHGSA-N
Chemical Structure
2D Structure
2D structure of Catechol-13C6
CAS: 115881-16-8
CID: 12196522
Formula: C6H6O2
MW: 116.067
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.067
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass116.05690844
Monoisotopic Mass116.05690844
Topological Polar Surface Area40.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity62.9
Isotope Atom Count6
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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