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1,3-Propanediol-d6

CAT: 0572-TRC-P760322-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P760322-500MGSize:500 mg
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CAS Number
284474-77-7
Synonyms
1,3-Dihydroxypropane-d6; 1,3-Propylene Glycol-d6; 1,3-Propylenediol-d6; 2-Deoxyglycerol; Bio-PDO; NSC 65426; PG; Susterra; Trimethylene glycol; Zemea; Zemea propanediol; β-Propylene glycol; ω-Propanediol
Hazard Statement
No Data Available
Purity
>95% (GC)
Smiles
OC([2H])([2H])C([2H])([2H])C([2H])([2H])O
Molecular Formula
C3H2D6O2
Molecular Weight
82.13
InChI
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2/i1D2,2D2,3D2
Additionnal Information
IUPAC name: propane-d6-1,3-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,3-Propane-d6-diol
CAS Number284474-77-7
PubChem CID57882501
IUPAC Name1,1,2,2,3,3-hexadeuteriopropane-1,3-diol
Molecular FormulaC3H8O2
Molecular Weight82.13
XLogP-1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity12
SMILES
[2H]C([2H])(C([2H])([2H])O)C([2H])([2H])O
InChI
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2/i1D2,2D2,3D2
InChIKey
YPFDHNVEDLHUCE-NMFSSPJFSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Propane-d6-diol
CAS: 284474-77-7
CID: 57882501
Formula: C3H8O2
MW: 82.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight82.13
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass82.090089969
Monoisotopic Mass82.090089969
Topological Polar Surface Area40.5 Ų
Heavy Atom Count5
Formal Charge0
Complexity12.4
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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