21080-92-2 | 3-Thiophenemalonic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	>98.0%(T)(HPLC)	in stock	$24.00	$17.00
25g	>98.0%(T)(HPLC)	in stock	$74.00	$52.00
100g	97%	in stock	$243.00	$170.00
500g	97%	in stock	$869.00	$608.00

Description

• Catalog Number: AB20313
• Chemical Name: 3-Thiophenemalonic acid
• CAS Number: 21080-92-2
• Molecular Formula: C7H6O4S
• Molecular Weight: 186.1851
• MDL Number: MFCD00005469
• SMILES: OC(=O)C(c1cscc1)C(=O)O

Computed Properties

• Complexity: 190
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 3
• XLogP3: 0.9

Literature

• Poly(2-thiophen-3-yl-malonic acid), a polythiophene with two carboxylic acids per repeating unit.

  The journal of physical chemistry. B 20100520

• Aqua-(2,2'-bipyridine-κN,N')[2-(3-thien-yl)malonato-κO,O']zinc(II) dihydrate.

  Acta crystallographica. Section E, Structure reports online 20091201

• catena-Poly[[trimethyl-tin(IV)]-μ-2-(3-thien-yl)acetato].

  Acta crystallographica. Section E, Structure reports online 20090101

• Di-μ-hydroxido-bis-[aqua-trichlorido-tin(IV)] diethyl ether disolvate.

  Acta crystallographica. Section E, Structure reports online 20081101

• Hydrogen-bonding interactions in 2-thiophen-3-ylmalonic acid.

  The journal of physical chemistry. A 20081023

• μ-3-Thienylmalonato-κO:O-bis-[triphenyl-tin(IV)].

  Acta crystallographica. Section E, Structure reports online 20081001

• Prediction of genotoxicity of chemical compounds by statistical learning methods.

  Chemical research in toxicology 20050601