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Home Carboxys 3-Methylisoxazole-5-carboxylic acid

3-Methylisoxazole-5-carboxylic acid

CAS No.:
4857-42-5
Catalog Number:
AG006WPS
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$125
- +
10g
98%
In Stock USA
United States
$207
- +
25g
98%
In Stock USA
United States
$419
- +
100g
98%
In Stock USA
United States
$1125
- +
Product Description
Catalog Number:
AG006WPS
Chemical Name:
3-Methylisoxazole-5-carboxylic acid
CAS Number:
4857-42-5
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
MDL Number:
MFCD00464222
IUPAC Name:
3-methyl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
InChI Key:
HXIYCKAAQPHZBM-UHFFFAOYSA-N
SMILES:
Cc1cc(on1)C(=O)O
EC Number:
225-454-9
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.027g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.099g/mol
Monoisotopic Mass:
127.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Metabolism studies of a small-molecule tumor necrosis factor-alpha (TNF-α) inhibitor, UTL-5b (GBL-5b). European journal of drug metabolism and pharmacokinetics 20120601
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Nicotinic acid receptor agonists differentially activate downstream effectors. The Journal of biological chemistry 20070622
Properties