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Catechol-d6

CAT: 0572-TRC-C215178-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C215178-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
202656-22-2
Synonyms
1,2-Benzene-3,4,5,6-d4-diol-d2; Pyrogallol-d6; 1,2-Benzenediol-1,2,3,4,5,6-D6; Catechol-1,2,3,4,5,6-D6; Catechol D6; Benzene-1,2-diol D6
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]Oc1c([2H])c([2H])c([2H])c([2H])c1O[2H]
Molecular Formula
C6 2H6 O2
Molecular Weight
116.15
InChI
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/i1D,2D,3D,4D/hD2
Additionnal Information
IUPAC name: 1,2,3,4-tetradeuterio-5,6-dideuteriooxybenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Catechol-d6

See also: Catechol (annotation moved to).

CAS Number202656-22-2
PubChem CID57607840
IUPAC Name1,2,3,4-tetradeuterio-5,6-dideuteriooxybenzene
Molecular FormulaC6H6O2
Molecular Weight116.15
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
[2H]C1=C(C(=C(C(=C1[2H])O[2H])O[2H])[2H])[2H]
InChI
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/i1D,2D,3D,4D/hD2
InChIKey
YCIMNLLNPGFGHC-UDDMDDBKSA-N
Chemical Structure
2D Structure
2D structure of Catechol-d6
CAS: 202656-22-2
CID: 57607840
Formula: C6H6O2
MW: 116.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.15
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass116.074439906
Monoisotopic Mass116.074439906
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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