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7424-54-6,MFCD00015186
Catalog No.:AA003IN4

7424-54-6 | Heptane-3,5-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$13.00   $9.00
- +
25g
97%
in stock  
$37.00   $26.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003IN4
Chemical Name:
Heptane-3,5-dione
CAS Number:
7424-54-6
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00015186
SMILES:
CCC(=O)CC(=O)CC
Properties
Properties
 
BP:
183.1°C at 760 mmHg  
Form:
Liquid  
MP:
26.25°C (estimate)  
Refractive Index:
n20/D 1.456(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
102  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Literature

Title: 1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenyl-isoquinoline.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: 1-[3-(4-Chloro-phen-yl)isoquinolin-1-yl]-3,5-diethyl-1H-pyrazole.

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: Formation of iodinated organic compounds by oxidation of iodide-containing waters with manganese dioxide.

Journal: Environmental science & technology 20090915

Title: Synthesis and characterization of mononuclear oxovanadium(IV) complexes and their enzyme inhibition studies with a carbohydrate metabolic enzyme phosphodiesterase I.

Journal: Journal of inorganic biochemistry 20050201

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SDS
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Tags:7424-54-6 Molecular Formula|7424-54-6 MDL|7424-54-6 SMILES|7424-54-6 Heptane-3,5-dione
Catalog No.: AA003IN4
7424-54-6,MFCD00015186
7424-54-6 | Heptane-3,5-dione
Pack Size： 5g
Purity： 97%
in stock
$13.00 $9.00
Pack Size： 25g
Purity： 97%
in stock
$37.00 $26.00
Quantity
- +
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Technical Information
Catalog Number: AA003IN4
Chemical Name: Heptane-3,5-dione
CAS Number: 7424-54-6
Molecular Formula: C7H12O2
Molecular Weight: 128.1690
MDL Number: MFCD00015186
SMILES: CCC(=O)CC(=O)CC
Properties
BP: 183.1°C at 760 mmHg  
Form: Liquid  
MP: 26.25°C (estimate)  
Refractive Index: n20/D 1.456(lit.)  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 102  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Literature fold

Title: 1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenyl-isoquinoline.

Journal: Acta crystallographica. Section E, Structure reports online20100801

Title: 1-[3-(4-Chloro-phen-yl)isoquinolin-1-yl]-3,5-diethyl-1H-pyrazole.

Journal: Acta crystallographica. Section E, Structure reports online20100201

Title: Formation of iodinated organic compounds by oxidation of iodide-containing waters with manganese dioxide.

Journal: Environmental science & technology20090915

Title: Synthesis and characterization of mononuclear oxovanadium(IV) complexes and their enzyme inhibition studies with a carbohydrate metabolic enzyme phosphodiesterase I.

Journal: Journal of inorganic biochemistry20050201

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