Home Carboxys 3,5-Dimethylisoxazole-4-carboxylic acid

3,5-Dimethylisoxazole-4-carboxylic acid

CAS No.:
2510-36-3
Catalog Number:
AG002QH1
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$35
- +
25g
96%
In Stock USA
United States
$107
- +
100g
96%
In Stock USA
United States
$344
- +
Product Description
Catalog Number:
AG002QH1
Chemical Name:
3,5-Dimethylisoxazole-4-carboxylic acid
CAS Number:
2510-36-3
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD00051657
IUPAC Name:
3,5-dimethyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C6H7NO3/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9)
InChI Key:
IJEUISLJVBUNRE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)noc1C
EC Number:
219-724-5
Properties
Complexity:
148  
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:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
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