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162166-99-6 | 1-Piperidinecarboxylic acid, 3-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 162166-99-6 Catalog No: AG001STH MDL No:MFCD06795963
Product Description
Catalog Number:
AG001STH
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
162166-99-6
Molecular Formula:
C12H23NO5S
Molecular Weight:
293.3797
MDL Number:
MFCD06795963
IUPAC Name:
tert-butyl 3-(methylsulfonyloxymethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H23NO5S/c1-12(2,3)18-11(14)13-7-5-6-10(8-13)9-17-19(4,15)16/h10H,5-9H2,1-4H3
InChI Key:
NEZJCDLNARUJSX-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)COS(=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:
5
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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