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113463-19-7 | 3-Pyrazolidinone, 5-(4-methoxyphenyl)-1-(4-methylphenyl)-
CAS No: 113463-19-7 Catalog No: AG0008O3 MDL No:
Product Description
Catalog Number:
AG0008O3
Chemical Name:
3-Pyrazolidinone, 5-(4-methoxyphenyl)-1-(4-methylphenyl)-
CAS Number:
113463-19-7
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.3370
IUPAC Name:
5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazolidin-3-one
InChI:
InChI=1S/C17H18N2O2/c1-12-3-7-14(8-4-12)19-16(11-17(20)18-19)13-5-9-15(21-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,18,20)
InChI Key:
JBVTVHALFNIDBG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CC(=O)NN1c1ccc(cc1)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.343g/mol
Monoisotopic Mass:
282.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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