815-57-6 | 3-Methyl-2,4-pentanedione

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$10.00	$7.00
5g	97%	in stock	$31.00	$22.00
10g	97%	in stock	$52.00	$37.00
25g	97%	in stock	$118.00	$83.00

Description

• Catalog Number: AB65293
• Chemical Name: 3-Methyl-2,4-pentanedione
• CAS Number: 815-57-6
• Molecular Formula: C6H10O2
• Molecular Weight: 114.1424
• MDL Number: MFCD00008762
• SMILES: CC(C(=O)C)C(=O)C
• NSC Number: 15756

Computed Properties

• Complexity: 102
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 0.4

Literature

• Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

  Journal of medicinal chemistry 20110127

• Poly[bis-(μ(3)-acetato-κO,O':O:O')bis-(μ(2)-acetato-κO,O':O)(μ(2)-2,5-dimethyl-benzene-1,4-diol-κO:O')dilead(II)].

  Acta crystallographica. Section E, Structure reports online 20081001

• Reactivity of niobium(v) and tantalum(v) halides with carbonyl compounds: synthesis of simple coordination adducts, C-H bond activation, C=O protonation, and halide transfer.

  Dalton transactions (Cambridge, England : 2003) 20071010

• Diketone radical cations: ketonic and enolic forms as revealed by matrix EPR studies and DFT calculations.

  The journal of physical chemistry. A 20070503