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125629-91-6 | 2-Pyrrolidinone, 5-(hydroxymethyl)-1-(phenylmethyl)-, (5S)-
CAS No: 125629-91-6 Catalog No: AG000NZH MDL No:MFCD00797913
Product Description
Catalog Number:
AG000NZH
Chemical Name:
2-Pyrrolidinone, 5-(hydroxymethyl)-1-(phenylmethyl)-, (5S)-
CAS Number:
125629-91-6
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00797913
IUPAC Name:
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
InChI:
InChI=1S/C12H15NO2/c14-9-11-6-7-12(15)13(11)8-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m0/s1
InChI Key:
OECBQTBLDLREAV-NSHDSACASA-N
SMILES:
OC[C@@H]1CCC(=O)N1Cc1ccccc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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