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189205-49-0 | 1-Piperidinecarboxylic acid, 4-(Methylsulfonyl)-, 1,1-diMethylethyl ester
CAS No: 189205-49-0 Catalog No: AG002I26 MDL No:
Product Description
Catalog Number:
AG002I26
Chemical Name:
1-Piperidinecarboxylic acid, 4-(Methylsulfonyl)-, 1,1-diMethylethyl ester
CAS Number:
189205-49-0
Molecular Formula:
C11H21NO4S
Molecular Weight:
263.3537
IUPAC Name:
tert-butyl 4-methylsulfonylpiperidine-1-carboxylate
InChI:
InChI=1S/C11H21NO4S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17(4,14)15/h9H,5-8H2,1-4H3
InChI Key:
IBDXIJWCSGQNAR-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)S(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.352g/mol
Monoisotopic Mass:
263.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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