Home Carboxys 3-Ethylisoxazole-5-carboxylic acid

3-Ethylisoxazole-5-carboxylic acid

CAS No.:
14633-21-7
Catalog Number:
AG001DX8
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG001DX8
Chemical Name:
3-Ethylisoxazole-5-carboxylic acid
CAS Number:
14633-21-7
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD02683548
IUPAC Name:
3-ethyl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C6H7NO3/c1-2-4-3-5(6(8)9)10-7-4/h3H,2H2,1H3,(H,8,9)
InChI Key:
WHBIWWYTGXQXSD-UHFFFAOYSA-N
SMILES:
CCc1noc(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