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1378472-99-1 | Pyrrolidine, 3-(ethylsulfonyl)-
CAS No: 1378472-99-1 Catalog No: AG0013Y5 MDL No:MFCD26792968
Product Description
Catalog Number:
AG0013Y5
Chemical Name:
Pyrrolidine, 3-(ethylsulfonyl)-
CAS Number:
1378472-99-1
Molecular Formula:
C6H13NO2S
Molecular Weight:
163.2379
MDL Number:
MFCD26792968
IUPAC Name:
3-ethylsulfonylpyrrolidine
InChI:
InChI=1S/C6H13NO2S/c1-2-10(8,9)6-3-4-7-5-6/h6-7H,2-5H2,1H3
InChI Key:
ZANKHKIMFKGPQM-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)C1CNCC1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.067g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.235g/mol
Monoisotopic Mass:
163.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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