sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys Ethyl 5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate

Ethyl 5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate

CAS No.:
89-33-8
Catalog Number:
AG003ZEE
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003ZEE
Chemical Name:
Ethyl 5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate
CAS Number:
89-33-8
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD00020764
IUPAC Name:
ethyl 5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
InChI:
InChI=1S/C12H12N2O3/c1-2-17-12(16)10-8-11(15)14(13-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
WBFXQKNQVZMOSQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=NN(C(=O)C1)c1ccccc1
EC Number:
201-899-4
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
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
Properties