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114038-65-2 | 3,5-Pyrazolidinedione, 4,4-dimethyl-1,2-bis(4-methylphenyl)-
CAS No: 114038-65-2 Catalog No: AG000ACG MDL No:
Product Description
Catalog Number:
AG000ACG
Chemical Name:
3,5-Pyrazolidinedione, 4,4-dimethyl-1,2-bis(4-methylphenyl)-
CAS Number:
114038-65-2
Molecular Formula:
C19H20N2O2
Molecular Weight:
308.3743
IUPAC Name:
4,4-dimethyl-1,2-bis(4-methylphenyl)pyrazolidine-3,5-dione
InChI:
InChI=1S/C19H20N2O2/c1-13-5-9-15(10-6-13)20-17(22)19(3,4)18(23)21(20)16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChI Key:
KRVRORNQNSCZAG-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccc(cc2)C)N(C(=O)C1(C)C)c1ccc(cc1)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.381g/mol
Monoisotopic Mass:
308.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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