113808-86-9 | 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$20.00	$14.00
5g	97%	in stock	$44.00	$31.00
25g	97%	in stock	$161.00	$113.00

Description

• Catalog Number: AA12424
• Chemical Name: 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid
• CAS Number: 113808-86-9
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.1399
• MDL Number: MFCD00159642
• SMILES: OC(=O)c1c(C)n[nH]c1C

Computed Properties

• Complexity: 149
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 0.5

Literature

• A soft copper(II) porous coordination polymer with unprecedented aqua bridge and selective adsorption properties.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20121008