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52784-32-4,MFCD00010809
Catalog No.:AA003RM7

52784-32-4 | Methyl 2-oxo-1-cycloheptanecarboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$19.00   $14.00
- +
1g
97%
in stock  
$24.00   $17.00
- +
5g
97%
in stock  
$78.00   $55.00
- +
25g
97%
in stock  
$294.00   $206.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003RM7
Chemical Name:
Methyl 2-oxo-1-cycloheptanecarboxylate
CAS Number:
52784-32-4
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD00010809
SMILES:
COC(=O)C1CCCCCC1=O
NSC Number:
148967
Properties
Properties
 
BP:
242.1°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.474(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
186  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.6  

Literature

Title: Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495).

Journal: ChemMedChem 20111104

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SDS
Tags:52784-32-4 Molecular Formula|52784-32-4 MDL|52784-32-4 SMILES|52784-32-4 Methyl 2-oxo-1-cycloheptanecarboxylate