2-(Hydroxymethyl)-1,3-propanediol

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Molecular Formula:

C4H10O3

Molecular Weight:

106.12

CAS Number:

4704-94-3

Catalog Number:

4704-94-3

Product Information

Molecular Formula:

C4H10O3

Molecular Weight:

106.12

Description

2-(Hydroxymethyl)-1,3-propanediol (CAS# 4704-94-3) is a useful reactant for the preparation of tetracyanocyclopentadienide amine salts.

Synonyms

2-(hydroxymethyl)propane-1,3-diol; 2-(hydroxymethyl)propane-1,3-diol

IUPAC Name

2-(hydroxymethyl)propane-1,3-diol

Canonical SMILES

C(C(CO)CO)O

InChI

InChI=1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2

InChI Key

SFRDXVJWXWOTEW-UHFFFAOYSA-N

Boiling Point

294.9 ℃ at 760 mmHg

Melting Point

63-68 ℃ (dec.) (lit.)

Flash Point

192.2 ℃F - closed cup

Purity

97 %

Density

1.213 g/cm³

Appearance

White crystalline

LogP

-1.42050

Computed Properties

XLogP3

-1.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

106.062994177 g/mol

Monoisotopic Mass

106.062994177 g/mol

Topological Polar Surface Area

60.7Å²

Heavy Atom Count

Formal Charge

Complexity

28.4

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

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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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2-(Hydroxymethyl)-1,3-propanediol

Product Information

Computed Properties

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