Home Carboxys 5-Ethyl-isoxazole-3-carboxylic acid

5-Ethyl-isoxazole-3-carboxylic acid

CAS No.:
52320-59-9
Catalog Number:
AG006UU2
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$119
- +
5g
97%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG006UU2
Chemical Name:
5-Ethyl-isoxazole-3-carboxylic acid
CAS Number:
52320-59-9
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD05864544
IUPAC Name:
5-ethyl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C6H7NO3/c1-2-4-3-5(6(8)9)7-10-4/h3H,2H2,1H3,(H,8,9)
InChI Key:
TULZZUANLRGWPM-UHFFFAOYSA-N
SMILES:
CCc1onc(c1)C(=O)O
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
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