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190957-22-3 | 2-Pyrrolidinone, 4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]-, (4R)-
CAS No: 190957-22-3 Catalog No: AG002EY9 MDL No:MFCD15071743
Product Description
Catalog Number:
AG002EY9
Chemical Name:
2-Pyrrolidinone, 4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]-, (4R)-
CAS Number:
190957-22-3
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD15071743
IUPAC Name:
(4R)-4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
InChI:
InChI=1S/C13H17NO2/c1-10(12-5-3-2-4-6-12)14-8-11(9-15)7-13(14)16/h2-6,10-11,15H,7-9H2,1H3/t10-,11-/m1/s1
InChI Key:
REDSEXWGKAYROX-GHMZBOCLSA-N
SMILES:
OC[C@H]1CN(C(=O)C1)[C@@H](c1ccccc1)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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