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Home Other Building Blocks 4-(morpholin-4-yl)-4-oxobut-2-enoic acid

4-(morpholin-4-yl)-4-oxobut-2-enoic acid

CAS No.:
167113-72-6
Catalog Number:
AG019IYL
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
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Product Description
Catalog Number:
AG019IYL
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
IUPAC Name:
(E)-4-morpholin-4-yl-4-oxobut-2-enoic acid
InChI:
InChI=1S/C8H11NO4/c10-7(1-2-8(11)12)9-3-5-13-6-4-9/h1-2H,3-6H2,(H,11,12)/b2-1+
InChI Key:
FCTFTKXWJQFGLI-OWOJBTEDSA-N
SMILES:
O=C(N1CCOCC1)C=CC(=O)O
NSC Number:
22411
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties