CAS 4075-59-6 | 2-Oxo-2-(thiophen-2-yl);acetic acid | CAS Number 4075-59-6

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4075-59-6 | 2-Oxo-2-(thiophen-2-yl);acetic acid

CAS No: 4075-59-6 Catalog No: AG003HTX MDL No:MFCD00005441

Product Description

Catalog Number:

AG003HTX

Chemical Name:

2-Oxo-2-(thiophen-2-yl);acetic acid

CAS Number:

4075-59-6

Molecular Formula:

C6H4O3S

Molecular Weight:

156.1592

MDL Number:

MFCD00005441

IUPAC Name:

2-oxo-2-thiophen-2-ylacetic acid

InChI:

InChI=1S/C6H4O3S/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)

InChI Key:

GIWRVUADKUVEGU-UHFFFAOYSA-N

SMILES:

OC(=O)C(=O)c1cccs1

EC Number:

223-794-2

UNII:

723A77PV2M

Properties

Complexity:

166

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

155.988g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

156.155g/mol

Monoisotopic Mass:

155.988g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
2-Oxo-2-(2-thien-yl)acetic acid.	Acta crystallographica. Section E, Structure reports online 20101201
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601
[Study on the synthesis, characterization of structure and fluorescence properties of the solid complex of europium ion with 1,10-phenanthroline and 2-thiopheneglyoxylic acid].	Guang pu xue yu guang pu fen xi = Guang pu 20041201
alpha-Ketocarboxylic acid-based inhibitors of protein tyrosine phosphatases.	Bioorganic & medicinal chemistry letters 20010723