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159757-32-1 | 2-Pyrrolidinone, 5-hydroxy-1-methyl-5-(2-phenylethyl)-
CAS No: 159757-32-1 Catalog No: AG001RDH MDL No:
Product Description
Catalog Number:
AG001RDH
Chemical Name:
2-Pyrrolidinone, 5-hydroxy-1-methyl-5-(2-phenylethyl)-
CAS Number:
159757-32-1
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
5-hydroxy-1-methyl-5-(2-phenylethyl)pyrrolidin-2-one
InChI:
InChI=1S/C13H17NO2/c1-14-12(15)8-10-13(14,16)9-7-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3
InChI Key:
AYNSUHAWUUCODD-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1C)(O)CCc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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