Diethyl 2,5-Dihydroxyterephthalate

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Molecular Formula:

C12H14O6

Molecular Weight:

254.24

CAS Number:

5870-38-2

Catalog Number:

5870-38-2

Product Information

Molecular Formula:

C12H14O6

Molecular Weight:

254.24

Description

Diethyl 2,5-Dihydroxyterephthalate (CAS# 5870-38-2 ) is a useful research chemical.

Synonyms

2,5-dihydroxybenzene-1,4-dicarboxylic acid diethyl ester; diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate

IUPAC Name

diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate

Canonical SMILES

CCOC(=O)C1=CC(=C(C=C1O)C(=O)OCC)O

InChI

InChI=1S/C12H14O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6,13-14H,3-4H2,1-2H3

InChI Key

UQOUOXLHXPHDHF-UHFFFAOYSA-N

Boiling Point

408.5 ℃ at 760 mmHg

Melting Point

135-137 ℃ (lit.)

Flash Point

Not applicable

Purity

97 %

Density

1.303 g/cm³

LogP

1.45120

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

2.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

254.07903816 g/mol

Monoisotopic Mass

254.07903816 g/mol

Topological Polar Surface Area

93.1Å²

Heavy Atom Count

Formal Charge

Complexity

273

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

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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Diethyl 2,5-Dihydroxyterephthalate

Product Information

Safety Information

Computed Properties

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