Home Other Building Blocks 1H-Pyrazole-4,5-dione, 3-methyl-1-phenyl-

1H-Pyrazole-4,5-dione, 3-methyl-1-phenyl-

CAS No.:
881-05-0
Catalog Number:
AG003EEO
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG003EEO
Chemical Name:
1H-Pyrazole-4,5-dione, 3-methyl-1-phenyl-
CAS Number:
881-05-0
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00194620
IUPAC Name:
5-methyl-2-phenylpyrazole-3,4-dione
InChI:
InChI=1S/C10H8N2O2/c1-7-9(13)10(14)12(11-7)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
WZHUUJNRNMODNQ-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1=O)c1ccccc1
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties