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Home Other Building Blocks 4-(2H-1,3-benzodioxol-5-yloxy)butanoic acid

4-(2H-1,3-benzodioxol-5-yloxy)butanoic acid

CAS No.:
127556-98-3
Catalog Number:
AG01A0BJ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01A0BJ
Chemical Name:
4-(2H-1,3-benzodioxol-5-yloxy)butanoic acid
CAS Number:
127556-98-3
MDL Number:
MFCD07403058
IUPAC Name:
4-(1,3-benzodioxol-5-yloxy)butanoic acid
InChI:
InChI=1S/C11H12O5/c12-11(13)2-1-5-14-8-3-4-9-10(6-8)16-7-15-9/h3-4,6H,1-2,5,7H2,(H,12,13)
InChI Key:
TUKIMVAQBCKDGS-UHFFFAOYSA-N
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.068g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.212g/mol
Monoisotopic Mass:
224.068g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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