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Home Other Building Blocks 3-(4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)propanoic acid

3-(4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)propanoic acid

CAS No.:
852399-57-6
Catalog Number:
AG019O51
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
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Product Description
Catalog Number:
AG019O51
Chemical Name:
3-(4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)propanoic acid
CAS Number:
852399-57-6
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD06655502
IUPAC Name:
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
InChI:
InChI=1S/C7H9NO3S/c1-5-4-12-7(11)8(5)3-2-6(9)10/h4H,2-3H2,1H3,(H,9,10)
InChI Key:
DXKOQSONWZQQNV-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1c(C)csc1=O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties