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542-08-5,MFCD00498941
Catalog No.:AA00I9LN

542-08-5 | Butanoic acid, 3-oxo-, 1-methylethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$18.00   $13.00
- +
25g
98%
in stock  
$32.00   $23.00
- +
100g
97%
in stock  
$95.00   $67.00
- +
500g
97%
in stock  
$261.00   $183.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00I9LN
Chemical Name:
Butanoic acid, 3-oxo-, 1-methylethyl ester
CAS Number:
542-08-5
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD00498941
SMILES:
CC(=O)CC(=O)OC(C)C
Properties
Computed Properties
 
Complexity:
138  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
0.8  

Literature

Title: Diisopropyl 1-(4-meth-oxy-phen-yl)-2,6-dimethyl-4-(3-nitro-phen-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: Synthesis and in vitro microbiological evaluation of novel 4-aryl-5-isopropoxycarbonyl-6-methyl-3,4-dihydropyrimidinones.

Journal: European journal of medicinal chemistry 20100101

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SDS
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Tags:542-08-5 Molecular Formula|542-08-5 MDL|542-08-5 SMILES|542-08-5 Butanoic acid, 3-oxo-, 1-methylethyl ester