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26485-81-4 | 3,5-Pyrazolidinedione, 4-(1-methylethylidene)-1,2-diphenyl-
CAS No: 26485-81-4 Catalog No: AG002TFC MDL No:
Product Description
Catalog Number:
AG002TFC
Chemical Name:
3,5-Pyrazolidinedione, 4-(1-methylethylidene)-1,2-diphenyl-
CAS Number:
26485-81-4
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
1,2-diphenyl-4-propan-2-ylidenepyrazolidine-3,5-dione
InChI:
InChI=1S/C18H16N2O2/c1-13(2)16-17(21)19(14-9-5-3-6-10-14)20(18(16)22)15-11-7-4-8-12-15/h3-12H,1-2H3
InChI Key:
PDPQOBMGUDTPIR-UHFFFAOYSA-N
SMILES:
CC(=C1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1)C
NSC Number:
68647
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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