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129888-60-4 | 1-Piperidinecarboxylic acid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester
CAS No: 129888-60-4 Catalog No: AG000TRV MDL No:MFCD07787193
Product Description
Catalog Number:
AG000TRV
Chemical Name:
1-Piperidinecarboxylic acid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester
CAS Number:
129888-60-4
Molecular Formula:
C11H21NO5S
Molecular Weight:
279.3531
MDL Number:
MFCD07787193
IUPAC Name:
tert-butyl 3-methylsulfonyloxypiperidine-1-carboxylate
InChI:
InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-6-9(8-12)17-18(4,14)15/h9H,5-8H2,1-4H3
InChI Key:
WLAZHMYDLUILKR-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)OS(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.351g/mol
Monoisotopic Mass:
279.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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