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1,2-Propanediol-d6

CAT: 0572-TRC-P760312-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P760312-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52910-80-2
Synonyms
1,2-Propane-d6-diol; 1,2-Propane-1,1,2,3,3,3-d6-diol (9CI)
Hazard Statement
No Data Available
Purity
>95% (GC)
Smiles
[2H]C([2H])([2H])C([2H])(O)C([2H])([2H])O
Molecular Formula
C3 D6 H2 O2
Molecular Weight
82.1314
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/i1D3,2D2,3D
Additionnal Information
IUPAC name: 1,1,2,3,3,3-hexadeuteriopropane-1,2-diol
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

1,2-Propane-d6-diol
CAS Number52910-80-2
PubChem CID71309005
IUPAC Name1,1,2,3,3,3-hexadeuteriopropane-1,2-diol
Molecular FormulaC3H8O2
Molecular Weight82.13
XLogP-0.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity20
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])O)O
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/i1D3,2D2,3D
InChIKey
DNIAPMSPPWPWGF-LIDOUZCJSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Propane-d6-diol
CAS: 52910-80-2
CID: 71309005
Formula: C3H8O2
MW: 82.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight82.13
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass82.090089969
Monoisotopic Mass82.090089969
Topological Polar Surface Area40.5 Ų
Heavy Atom Count5
Formal Charge0
Complexity20.9
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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