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100880-62-4 | 3,5-Pyrazolidinedione, 1-[1,1'-biphenyl]-4-yl-
CAS No: 100880-62-4 Catalog No: AG00033C MDL No:
Product Description
Catalog Number:
AG00033C
Chemical Name:
3,5-Pyrazolidinedione, 1-[1,1'-biphenyl]-4-yl-
CAS Number:
100880-62-4
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
1-(4-phenylphenyl)pyrazolidine-3,5-dione
InChI:
InChI=1S/C15H12N2O2/c18-14-10-15(19)17(16-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,18)
InChI Key:
BDELXUMTBCEWAH-UHFFFAOYSA-N
SMILES:
O=C1NN(C(=O)C1)c1ccc(cc1)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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