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113463-18-6 | 3-Pyrazolidinone, 5-(4-methoxyphenyl)-1-phenyl-
CAS No: 113463-18-6 Catalog No: AG0008O4 MDL No:
Product Description
Catalog Number:
AG0008O4
Chemical Name:
3-Pyrazolidinone, 5-(4-methoxyphenyl)-1-phenyl-
CAS Number:
113463-18-6
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
5-(4-methoxyphenyl)-1-phenylpyrazolidin-3-one
InChI:
InChI=1S/C16H16N2O2/c1-20-14-9-7-12(8-10-14)15-11-16(19)17-18(15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,17,19)
InChI Key:
NWLRTGYZLUPQRM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CC(=O)NN1c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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