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878431-90-4,MFCD06810378
Catalog No.:AA004GWN

878431-90-4 | 4-(4-ETHOXY-3-METHYLPHENYL)BUTANOIC ACID

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  • Technical Information
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Technical Information
Catalog Number:
AA004GWN
Chemical Name:
4-(4-ETHOXY-3-METHYLPHENYL)BUTANOIC ACID
CAS Number:
878431-90-4
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD06810378
SMILES:
CCOc1ccc(cc1C)CCCC(=O)O
Properties
Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
2.7  

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:878431-90-4 Molecular Formula|878431-90-4 MDL|878431-90-4 SMILES|878431-90-4 4-(4-ETHOXY-3-METHYLPHENYL)BUTANOIC ACID