105-50-0 | Diethyl 1,3-acetonedicarboxylate

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$6.00	$4.00
25g	95%	in stock	$8.00	$5.00
100g	95%	in stock	$26.00	$18.00
500g	95%	in stock	$88.00	$61.00

Description

• Catalog Number: AB45885
• Chemical Name: Diethyl 1,3-acetonedicarboxylate
• CAS Number: 105-50-0
• Molecular Formula: C9H14O5
• Molecular Weight: 202.2045
• MDL Number: MFCD00009200
• SMILES: CCOC(=O)CC(=O)CC(=O)OCC
• NSC Number: 9013

Computed Properties

• Complexity: 199
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• XLogP3: 0.7

Literature

• Selective inhibitory action of Biginelli-type dihydropyrimidines on depolarization-induced arterial smooth muscle contraction.

  The Journal of pharmacy and pharmacology 20120501

• Ethyl 6-ethoxy-carbonyl-methyl-4-(2-hydroxy-phen-yl)-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20080601