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163394-89-6 | Ethanone, 2-(2-acetyl-1-phenyl-3-pyrazolidinyl)-1-phenyl-
CAS No: 163394-89-6 Catalog No: AG001U2S MDL No:
Product Description
Catalog Number:
AG001U2S
Chemical Name:
Ethanone, 2-(2-acetyl-1-phenyl-3-pyrazolidinyl)-1-phenyl-
CAS Number:
163394-89-6
Molecular Formula:
C19H20N2O2
Molecular Weight:
308.3743
IUPAC Name:
2-(2-acetyl-1-phenylpyrazolidin-3-yl)-1-phenylethanone
InChI:
InChI=1S/C19H20N2O2/c1-15(22)21-18(14-19(23)16-8-4-2-5-9-16)12-13-20(21)17-10-6-3-7-11-17/h2-11,18H,12-14H2,1H3
InChI Key:
YNNSZTAZOHLBBP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1CCN(N1C(=O)C)c1ccccc1
Properties
Complexity:
425
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.381g/mol
Monoisotopic Mass:
308.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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