2,5-Dihydroxyterephthalic acid

CAT: 0063-89990235-5gSize: 5 gDry Ice: NoHazardous: No

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CAT#:0063-89990235-5gSize:5 g

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CAS Number

610-92-4

Molecular Formula

(HO) 2C6H2 (CO2H) 2

Molecular Weight

198.13

Formulation

(HO) 2C6H2 (CO2H) 2

Chemical Information

2,5-Dihydroxyterephthalic acid

2,5-Dihydroxyterephthalic acid has been reported in Inonotus obliquus with data available.

CAS Number	610-92-4
PubChem CID	69131
IUPAC Name	2,5-dihydroxyterephthalic acid
Molecular Formula	C8H6O6
Molecular Weight	198.13
XLogP	1.4
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	224

SMILES

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

InChI

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)

InChIKey

OYFRNYNHAZOYNF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 610-92-4

CID: 69131

Formula: C8H6O6

MW: 198.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.13
XLogP3	1.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	198.01643791
Monoisotopic Mass	198.01643791
Topological Polar Surface Area	115 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
16469390-01	2,5-Dichlorobenzoic acid
28391632-01	2,5-Pyridinedicarboxylic acid
16469390-250g	2,5-Dichlorobenzoic acid
28391632-500g	2,5-Pyridinedicarboxylic acid
16469390-100g	2,5-Dichlorobenzoic acid
28391632-100g	2,5-Pyridinedicarboxylic acid
42641018	2,5-Dihydroxybenzoic acid (Gentisic acid)
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90028179	2,3,5-Triiodobenzoic Acid
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