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Home Carboxys 3-Isopropylisoxazole-5-carboxylic acid

3-Isopropylisoxazole-5-carboxylic acid

CAS No.:
14633-22-8
Catalog Number:
AG001DX7
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$121
- +
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG001DX7
Chemical Name:
3-Isopropylisoxazole-5-carboxylic acid
CAS Number:
14633-22-8
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD05668695
IUPAC Name:
3-propan-2-yl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c1-4(2)5-3-6(7(9)10)11-8-5/h3-4H,1-2H3,(H,9,10)
InChI Key:
GYOKWSOCMUDVGN-UHFFFAOYSA-N
SMILES:
CC(c1noc(c1)C(=O)O)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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