CAS 5488-16-4 2,5-Dihydroxy-1,4-benzenediacetic acid

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2,5-Dihydroxy-1,4-benzenediacetic acid

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Catalog Number

ACM5488164

CAS Number

5488-16-4

Product Name

2,5-Dihydroxy-1,4-benzenediacetic acid

Structure

Category

Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand

Synonyms

2-[4-(Carboxylatomethyl)-2,5-dihydroxyphenyl]acetate

IUPAC Name

2-[4-(carboxymethyl)-2,5-dihydroxyphenyl]acetic acid

Molecular Weight

226.18

Molecular Formula

C10H10O6

Canonical SMILES

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

InChI

InChI=1S/C10H10O6/c11-7-1-5(3-9(13)14)8(12)2-6(7)4-10(15)16/h1-2,11-12H,3-4H2,(H,13,14)(H,15,16)

InChI Key

MCLKERLHVBEZIW-UHFFFAOYSA-N

Boiling Point

574.5ºC at 760mmHg

Melting Point

281-283ºC (dec.)(lit.)

Flash Point

315.3ºC

Purity

98%

Density

1.602g/cm³

Complexity

249

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

226-819-5

Exact Mass

226.04773803g/mol

Formal Charge

Hazard Statements

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

226.04773803g/mol

NSC Number

30144

Rotatable Bond Count

Safety Description

S24/25

Topological Polar Surface Area

115Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

0.1

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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