620-79-1 | Ethyl 2-benzylacetoacetate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$20.00	$14.00
5g	95%	in stock	$40.00	$28.00
10g	95%	in stock	$70.00	$49.00
25g	95%	in stock	$131.00	$92.00
100g	95%	in stock	$372.00	$260.00

Description

• Catalog Number: AB73590
• Chemical Name: Ethyl 2-benzylacetoacetate
• CAS Number: 620-79-1
• Molecular Formula: C13H16O3
• Molecular Weight: 220.2643
• MDL Number: MFCD08436113
• SMILES: CCOC(=O)C(C(=O)C)Cc1ccccc1
• NSC Number: 60581

Computed Properties

• Complexity: 242
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Undefined Atom Stereocenter Count: 1
• XLogP3: 2.5

Literature

• Ethyl 4-acetamido-3-acet-oxy-2-benzyl-3-methyl-butano-ate.

  Acta crystallographica. Section E, Structure reports online 20111201

• Triethyl-ammonium [2-eth-oxy-carbonyl-2-(2-methyl-benz-yl)-6,9-dinitro-3-oxo-bicyclo-[3.3.1]non-6-en-8-yl-idene]azinate.

  Acta crystallographica. Section E, Structure reports online 20110601