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19933-22-3 | 3,5-Pyrazolidinedione, 1-phenyl-
CAS No: 19933-22-3 Catalog No: AG002C2J MDL No:MFCD00461241
Product Description
Catalog Number:
AG002C2J
Chemical Name:
3,5-Pyrazolidinedione, 1-phenyl-
CAS Number:
19933-22-3
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD00461241
IUPAC Name:
1-phenylpyrazolidine-3,5-dione
InChI:
InChI=1S/C9H8N2O2/c12-8-6-9(13)11(10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12)
InChI Key:
JHRGJMLMFWJXOG-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)NN1c1ccccc1
NSC Number:
108218
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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