2,5-Dihydroxyterephthalic acid

Catalog Number	ACM610924-2
CAS	610-92-4
Structure
Description	2,5-dihydroxyterephthalic acid (DHTA)is prepared by bromine/sulphuric acid mediated aromatization of diethyl succinoylsucinate, followed by hydrolysis.
Synonyms	2,5-Dioxido-1,4-benzenedicarboxylate
IUPAC Name	2,5-dihydroxyterephthalic acid
Molecular Weight	198.13
Molecular Formula	C8H6O6
Canonical SMILES	C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O
InChI	1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChI Key	OYFRNYNHAZOYNF-UHFFFAOYSA-N
Boiling Point	>300 °C-lit.
Melting Point	>300 °C-lit.
Purity	97%
Appearance	Yellow green solid
Storage	Store under inert gas
Complexity	224
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
EC Number	210-239-4
Exact Mass	198.01643791g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
MDL Number	MFCD00132933
Monoisotopic Mass	198.01643791g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	115Ų

Q&A

What is the molecular formula of 2,5-Dihydroxyterephthalic acid?

The molecular formula of 2,5-Dihydroxyterephthalic acid is C8H6O6.

What is the molecular weight of 2,5-Dihydroxyterephthalic acid?

The molecular weight of 2,5-Dihydroxyterephthalic acid is 198.13 g/mol.

What is the IUPAC name of 2,5-Dihydroxyterephthalic acid?

The IUPAC name of 2,5-Dihydroxyterephthalic acid is 2,5-dihydroxyterephthalic acid.

What is the InChI of 2,5-Dihydroxyterephthalic acid?

The InChI of 2,5-Dihydroxyterephthalic acid is InChI=1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14).

What is the InChIKey of 2,5-Dihydroxyterephthalic acid?

The InChIKey of 2,5-Dihydroxyterephthalic acid is OYFRNYNHAZOYNF-UHFFFAOYSA-N.

What is the Canonical SMILES of 2,5-Dihydroxyterephthalic acid?

The Canonical SMILES of 2,5-Dihydroxyterephthalic acid is C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O.

What is the CAS number of 2,5-Dihydroxyterephthalic acid?

The CAS number of 2,5-Dihydroxyterephthalic acid is 610-92-4.

What is the European Community (EC) number of 2,5-Dihydroxyterephthalic acid?

The European Community (EC) number of 2,5-Dihydroxyterephthalic acid is 210-239-4.

What is the XLogP3-AA value of 2,5-Dihydroxyterephthalic acid?

The XLogP3-AA value of 2,5-Dihydroxyterephthalic acid is 1.4.

What is the topological polar surface area of 2,5-Dihydroxyterephthalic acid?

The topological polar surface area of 2,5-Dihydroxyterephthalic acid is 115Ų.