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NPG Glycol-d6

CAT: 0572-TRC-N897006-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N897006-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14671-00-2
Synonyms
2,2-Dimethyl-1,3-propanediol D6 (2,2-Dimethyl D6); 2,2-Di(methyl-d3)-1,3-propanediol
Hazard Statement
Causes serious eye damage
Smiles
[2H]C([2H])([2H])C(CO)(CO)C([2H])([2H])[2H]
Molecular Formula
C5 D6 H6 O2
Molecular Weight
110.185
InChI
InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3/i1D3,2D3
Additionnal Information
IUPAC name: 2,2-bis(trideuteriomethyl)propane-1,3-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

NPG Glycol-d6
CAS Number14671-00-2
PubChem CID15618907
IUPAC Name2,2-bis(trideuteriomethyl)propane-1,3-diol
Molecular FormulaC5H12O2
Molecular Weight110.18
XLogP0
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity44
SMILES
[2H]C([2H])([2H])C(CO)(CO)C([2H])([2H])[2H]
InChI
InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3/i1D3,2D3
InChIKey
SLCVBVWXLSEKPL-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of NPG Glycol-d6
CAS: 14671-00-2
CID: 15618907
Formula: C5H12O2
MW: 110.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.18
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass110.121390097
Monoisotopic Mass110.121390097
Topological Polar Surface Area40.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity44
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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Alternative Products

CatalogName
HY-Y0338S3-01Ethylene Glycol-d6
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463111-01Propylene Glycol β-D-Glucopyranosiduronic Acid Benzyl Ester 2,3,4-Triacetate-d6
M23413-01Glycol chitosan
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