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52245-99-5,MFCD07186558
Catalog No.:AA01EW9N

52245-99-5 | 4-(4-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid

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500mg
1 week  
$397.00   $278.00
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  • Technical Information
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Technical Information
Catalog Number:
AA01EW9N
Chemical Name:
4-(4-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid
CAS Number:
52245-99-5
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD07186558
SMILES:
OC(=O)CCC(=O)c1cc(C)c(c(c1)C)O
Properties
Computed Properties
 
Complexity:
262  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
1.4  

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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SDS
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Tags:52245-99-5 Molecular Formula|52245-99-5 MDL|52245-99-5 SMILES|52245-99-5 4-(4-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid