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

• CAS: 5488-16-4
• Catalog Number: ACM5488164
• Category: Other Products
• Molecular Weight: 226.18
• Molecular Formula: C10H10O6
• Synonyms: 2-[4-(Carboxylatomethyl)-2,5-dihydroxyphenyl]acetate
• IUPAC Name: 2-[4-(carboxymethyl)-2,5-dihydroxyphenyl]acetic acid
• 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
• Density: 1.602g/cm³
• Complexity: 249
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 226-819-5
• Exact Mass: 226.04773803g/mol
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 6
• H-Bond Donor: 4
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 4
• Isotope Atom Count: 0
• Monoisotopic Mass: 226.04773803g/mol
• NSC Number: 30144
• Physical State: White solid
• Rotatable Bond Count: 4
• Safety Description: S24/25
• Topological Polar Surface Area: 115Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: 0.1

Custom Reviews

June 16, 2023

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Analytical reagent
As an analytical reagent for uric acid, 2,5-dihydroxy-1,4-benzenediacetic acid has very accurate detection results.