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2,3-dihydroxyterephthalic acid

Catalog Number ACM19829722-1
CAS 19829-72-2
Synonyms H2catbdc
IUPAC Name 2,3-dihydroxyterephthalic acid
Molecular Weight 198.13
Molecular Formula C8H6O6
InChI InChI=1S/C8H6O6/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChI Key OHLSHRJUBRUKAN-UHFFFAOYSA-N
Purity 98%
Appearance White solid
Complexity 224
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
EC Number 243-354-3
Exact Mass 198.01643791g/mol
Formal Charge 0
Heavy Atom Count 14
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
Monoisotopic Mass 198.01643791g/mol
Rotatable Bond Count 2
Topological Polar Surface Area 115Ų
Q&A

What is the molecular formula of 2,3-dihydroxyterephthalic acid?

The molecular formula of 2,3-dihydroxyterephthalic acid is C8H6O6.

What is the molecular weight of 2,3-dihydroxyterephthalic acid?

The molecular weight of 2,3-dihydroxyterephthalic acid is 198.13 g/mol.

What is the IUPAC name of 2,3-dihydroxyterephthalic acid?

The IUPAC name of 2,3-dihydroxyterephthalic acid is 2,3-dihydroxyterephthalic acid.

What is the InChI of 2,3-dihydroxyterephthalic acid?

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

What is the InChIKey of 2,3-dihydroxyterephthalic acid?

The InChIKey of 2,3-dihydroxyterephthalic acid is OHLSHRJUBRUKAN-UHFFFAOYSA-N.

What is the canonical SMILES of 2,3-dihydroxyterephthalic acid?

The canonical SMILES of 2,3-dihydroxyterephthalic acid is C1=CC(=C(C(=C1C(=O)O)O)O)C(=O)O.

What is the CAS number of 2,3-dihydroxyterephthalic acid?

The CAS number of 2,3-dihydroxyterephthalic acid is 19829-72-2.

What is the European Community (EC) number of 2,3-dihydroxyterephthalic acid?

The European Community (EC) number of 2,3-dihydroxyterephthalic acid is 243-354-3.

What is the UNII of 2,3-dihydroxyterephthalic acid?

The UNII of 2,3-dihydroxyterephthalic acid is F9S7RAD6FM.

What is the XLogP3 value of 2,3-dihydroxyterephthalic acid?

The XLogP3 value of 2,3-dihydroxyterephthalic acid is 1.5.

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