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89598-48-1 | Pyrrolidine, 1-(methylsulfonyl)-2-[(phenylmethoxy)methyl]-, (S)-
CAS No: 89598-48-1 Catalog No: AG003WUN MDL No:
Product Description
Catalog Number:
AG003WUN
Chemical Name:
Pyrrolidine, 1-(methylsulfonyl)-2-[(phenylmethoxy)methyl]-, (S)-
CAS Number:
89598-48-1
Molecular Formula:
C13H19NO3S
Molecular Weight:
269.3599
IUPAC Name:
1-methylsulfonyl-2-(phenylmethoxymethyl)pyrrolidine
InChI:
InChI=1S/C13H19NO3S/c1-18(15,16)14-9-5-8-13(14)11-17-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChI Key:
QMQOOHZZQLMGCC-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N1CCC[C@H]1COCc1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.359g/mol
Monoisotopic Mass:
269.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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