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Home Other Building Blocks 3-(1,3-benzothiazol-2-yl)-2,3-dihydroxypropanoic acid

3-(1,3-benzothiazol-2-yl)-2,3-dihydroxypropanoic acid

CAS No.:
326021-35-6
Catalog Number:
AG019OM9
Molecular Formula:
C10H9NO4S
Molecular Weight:
239.2478
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Product Description
Catalog Number:
AG019OM9
Chemical Name:
3-(1,3-benzothiazol-2-yl)-2,3-dihydroxypropanoic acid
CAS Number:
326021-35-6
Molecular Formula:
C10H9NO4S
Molecular Weight:
239.2478
MDL Number:
MFCD02699535
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-2,3-dihydroxypropanoic acid
InChI:
InChI=1S/C10H9NO4S/c12-7(8(13)10(14)15)9-11-5-3-1-2-4-6(5)16-9/h1-4,7-8,12-13H,(H,14,15)
InChI Key:
LSSZVQDQXRRRSP-UHFFFAOYSA-N
SMILES:
OC(C(c1nc2c(s1)cccc2)O)C(=O)O
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.025g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
239.245g/mol
Monoisotopic Mass:
239.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
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