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113410-22-3 | 3-Pyrazolidinone, 4-(2-hydroxyethyl)-1-phenyl-
CAS No: 113410-22-3 Catalog No: AG0008H5 MDL No:
Product Description
Catalog Number:
AG0008H5
Chemical Name:
3-Pyrazolidinone, 4-(2-hydroxyethyl)-1-phenyl-
CAS Number:
113410-22-3
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
InChI:
InChI=1S/C11H14N2O2/c14-7-6-9-8-13(12-11(9)15)10-4-2-1-3-5-10/h1-5,9,14H,6-8H2,(H,12,15)
InChI Key:
QHTHBSKOQYBUFF-UHFFFAOYSA-N
SMILES:
OCCC1CN(NC1=O)c1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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