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86658-76-6 | Pyrrolidine, 2-methoxy-1-[(4-methylphenyl)sulfonyl]-
CAS No: 86658-76-6 Catalog No: AG004TDD MDL No:
Product Description
Catalog Number:
AG004TDD
Chemical Name:
Pyrrolidine, 2-methoxy-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
86658-76-6
Molecular Formula:
C12H17NO3S
Molecular Weight:
255.3333
IUPAC Name:
2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
InChI:
InChI=1S/C12H17NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-9-3-4-12(13)16-2/h5-8,12H,3-4,9H2,1-2H3
InChI Key:
GDTUFLLMDYHEMF-UHFFFAOYSA-N
SMILES:
COC1CCCN1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.332g/mol
Monoisotopic Mass:
255.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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