1,4-DIOXANE-2,3-DIOL

Inquiry

Molecular Formula:

C4H8O4

Molecular Weight:

120.1

CAS Number:

4845-50-5

Catalog Number:

4845-50-5

Product Information

Molecular Formula:

C4H8O4

Molecular Weight:

120.1

Description

1,4-Dioxane-2,3-diol is an organic chemical small molecule. This compound is inherently cytotoxic and can prevent the growth of malignant cells and is therefore used in anti-cancer drug development.

Synonyms

TRANS-2,3-DIHYDROXY-1,4-DIOXANE; 1,4-DIOXANE-2,3-DIOL; 2,3-DIHYDROXY-1,4-DIOXANE; GLYOXAL MONOETHYLENE ACETAL; 2,3-Dihydroxy-1,4-dioxane~Glyoxal monoethylene acetal; Dioxanediol; trans-1,4-Dioxane-2,3-diol; 1,4-Dioxane-2,3-diol,97%

IUPAC Name

1,4-dioxane-2,3-diol

Canonical SMILES

C1COC(C(O1)O)O

InChI

InChI=1S/C4H8O4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2

InChI Key

YLVACWCCJCZITJ-UHFFFAOYSA-N

Melting Point

91-95 °C (lit.)

Flash Point

Not applicable

Purity

>96.0%(GC)

Density

1.455 g/cm3

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

-1.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

120.04225873 g/mol

Monoisotopic Mass

120.04225873 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

64.4

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

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CN-111549545-A	Disperse dye ink for digital printing and preparation method thereof	2020-06-25

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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