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167113-72-6,MFCD00224188
Catalog No.:AA019IVT

167113-72-6 | 4-(morpholin-4-yl)-4-oxobut-2-enoic acid

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  • Technical Information
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Technical Information
Catalog Number:
AA019IVT
Chemical Name:
4-(morpholin-4-yl)-4-oxobut-2-enoic acid
CAS Number:
167113-72-6
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
MDL Number:
MFCD00224188
SMILES:
O=C(N1CCOCC1)C=CC(=O)O
NSC Number:
22411
Properties
Computed Properties
 
Complexity:
230  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
-0.9  

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:167113-72-6 Molecular Formula|167113-72-6 MDL|167113-72-6 SMILES|167113-72-6 4-(morpholin-4-yl)-4-oxobut-2-enoic acid