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3-(1-Ethyl-3-methyl-1h-pyrazol-4-yl)isoxazole-5-carboxylic acid

CAS No.:
957490-68-5
Catalog Number:
AG00J0VN
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
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Product Description
Catalog Number:
AG00J0VN
Chemical Name:
3-(1-Ethyl-3-methyl-1h-pyrazol-4-yl)isoxazole-5-carboxylic acid
CAS Number:
957490-68-5
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
MDL Number:
MFCD14582946
IUPAC Name:
3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C10H11N3O3/c1-3-13-5-7(6(2)11-13)8-4-9(10(14)15)16-12-8/h4-5H,3H2,1-2H3,(H,14,15)
InChI Key:
NSPMVACWQJCBIU-UHFFFAOYSA-N
SMILES:
CCn1nc(c(c1)c1noc(c1)C(=O)O)C
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
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