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Home Other Building Blocks 3-(3,5-Dimethylisoxazol-4-yl)propanoic acid

3-(3,5-Dimethylisoxazol-4-yl)propanoic acid

CAS No.:
116423-07-5
Catalog Number:
AG000CGE
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG000CGE
Chemical Name:
3-(3,5-Dimethylisoxazol-4-yl)propanoic acid
CAS Number:
116423-07-5
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD02628165
IUPAC Name:
3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid
InChI:
InChI=1S/C8H11NO3/c1-5-7(3-4-8(10)11)6(2)12-9-5/h3-4H2,1-2H3,(H,10,11)
InChI Key:
KSKLKJYVYVPIFW-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)noc1C
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^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
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