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160132-53-6 | 1-Pyrrolidinecarboxylic acid, 3-[2-[(methylsulfonyl)oxy]ethyl]-, 1,1-dimethylethyl ester
CAS No: 160132-53-6 Catalog No: AG001RP8 MDL No:
Product Description
Catalog Number:
AG001RP8
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[2-[(methylsulfonyl)oxy]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
160132-53-6
Molecular Formula:
C12H23NO5S
Molecular Weight:
293.3797
IUPAC Name:
tert-butyl 3-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H23NO5S/c1-12(2,3)18-11(14)13-7-5-10(9-13)6-8-17-19(4,15)16/h10H,5-9H2,1-4H3
InChI Key:
ITAMCMGHPLATPO-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)CCOS(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.13g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.378g/mol
Monoisotopic Mass:
293.13g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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