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89598-10-7 | Pyrrolidine, 2-(methoxymethyl)-1-[(2-phenylethyl)sulfonyl]-, (S)-
CAS No: 89598-10-7 Catalog No: AG003YTX MDL No:
Product Description
Catalog Number:
AG003YTX
Chemical Name:
Pyrrolidine, 2-(methoxymethyl)-1-[(2-phenylethyl)sulfonyl]-, (S)-
CAS Number:
89598-10-7
Molecular Formula:
C14H21NO3S
Molecular Weight:
283.3864
IUPAC Name:
2-(methoxymethyl)-1-(2-phenylethylsulfonyl)pyrrolidine
InChI:
InChI=1S/C14H21NO3S/c1-18-12-14-8-5-10-15(14)19(16,17)11-9-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChI Key:
BQDVQOLISWSTHT-UHFFFAOYSA-N
SMILES:
COC[C@@H]1CCCN1S(=O)(=O)CCc1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.124g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.386g/mol
Monoisotopic Mass:
283.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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