Home Carboxys 5-oxo-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid

5-oxo-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS No.:
937650-39-0
Catalog Number:
AG01A0VG
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01A0VG
Chemical Name:
5-oxo-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid
CAS Number:
937650-39-0
MDL Number:
MFCD09035092
IUPAC Name:
5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H8N2O3/c13-9-7(6-4-2-1-3-5-6)8(10(14)15)11-12-9/h1-5,7H,(H,12,13)(H,14,15)
InChI Key:
GPBFDQSZZHMUQB-UHFFFAOYSA-N
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:
2  
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties