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Home Carboxys 5-Oxo-1-phenyl-2-pyrazolin-3-carboxylic acid

5-Oxo-1-phenyl-2-pyrazolin-3-carboxylic acid

CAS No.:
119-18-6
Catalog Number:
AG00HEV3
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$100
- +
25g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG00HEV3
Chemical Name:
5-Oxo-1-phenyl-2-pyrazolin-3-carboxylic acid
CAS Number:
119-18-6
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD00037318
IUPAC Name:
5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H8N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)
InChI Key:
IMZSHPUSPMOODC-UHFFFAOYSA-N
SMILES:
OC(=O)C1=NN(C(=O)C1)c1ccccc1
EC Number:
204-304-6
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Small molecule inhibitors of SHP2 tyrosine phosphatase discovered by virtual screening. Bioorganic & medicinal chemistry letters 20110715
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