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815-57-6,MFCD00008762
Catalog No.:AA003JM9

815-57-6 | 3-METHYL-2,4-PENTANEDIONE

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1g
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003JM9
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
Properties
Properties
 
BP:
172-174 °C(lit.)  
Form:
Liquid  
MP:
-7.75°C (estimate)  
Refractive Index:
n20/D 1.442(lit.)  
Storage:
2-8℃;  

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

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

Journal: Journal of medicinal chemistry 20110127

Title: 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)].

Journal: Acta crystallographica. Section E, Structure reports online 20081001

Title: 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.

Journal: Dalton transactions (Cambridge, England : 2003) 20071010

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

Journal: The journal of physical chemistry. A 20070503

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Tags:815-57-6 Molecular Formula|815-57-6 MDL|815-57-6 SMILES|815-57-6 3-METHYL-2,4-PENTANEDIONE