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Home Carboxys 3-(1,5-Dimethyl-1h-pyrazol-4-yl)isoxazole-5-carboxylic acid

3-(1,5-Dimethyl-1h-pyrazol-4-yl)isoxazole-5-carboxylic acid

CAS No.:
957484-18-3
Catalog Number:
AG00J0VA
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
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Product Description
Catalog Number:
AG00J0VA
Chemical Name:
3-(1,5-Dimethyl-1h-pyrazol-4-yl)isoxazole-5-carboxylic acid
CAS Number:
957484-18-3
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
MDL Number:
MFCD04970289
IUPAC Name:
3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C9H9N3O3/c1-5-6(4-10-12(5)2)7-3-8(9(13)14)15-11-7/h3-4H,1-2H3,(H,13,14)
InChI Key:
BTSNBPGQHKIMQJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1onc(c1)c1cnn(c1C)C
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
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