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Home Other Building Blocks 3H-Pyrazol-3-one, 1,2-dihydro-1-phenyl-

3H-Pyrazol-3-one, 1,2-dihydro-1-phenyl-

CAS No.:
1008-79-3
Catalog Number:
AG0002XB
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
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Product Description
Catalog Number:
AG0002XB
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-1-phenyl-
CAS Number:
1008-79-3
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00129721
IUPAC Name:
2-phenyl-1H-pyrazol-5-one
InChI:
InChI=1S/C9H8N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
InChI Key:
MKMDCEXRIPLNGJ-UHFFFAOYSA-N
SMILES:
O=c1ccn([nH]1)c1ccccc1
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^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
Novel laccase redox mediators: spectral, electrochemical, and kinetic properties. Applied biochemistry and biotechnology 20031201
Properties