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701221-57-0,MFCD04218376
Catalog No.:AA006C13

701221-57-0 | 3-(5-Oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
2 weeks  
$92.00   $64.00
- +
5g
95%
2 weeks  
$361.00   $253.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA006C13
Chemical Name:
3-(5-Oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
CAS Number:
701221-57-0
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD04218376
SMILES:
CCCC1=NN(C(=O)C1)c1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
378  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
1.6  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:701221-57-0 Molecular Formula|701221-57-0 MDL|701221-57-0 SMILES|701221-57-0 3-(5-Oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid