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147699-19-2 | 1-Piperidinecarboxylic acid, 4-[2-[(methylsulfonyl)oxy]ethyl]-, 1,1-dimethylethyl ester
CAS No: 147699-19-2 Catalog No: AG001F3O MDL No:MFCD11007804
Product Description
Catalog Number:
AG001F3O
Chemical Name:
1-Piperidinecarboxylic acid, 4-[2-[(methylsulfonyl)oxy]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
147699-19-2
Molecular Formula:
C13H25NO5S
Molecular Weight:
307.4063
MDL Number:
MFCD11007804
IUPAC Name:
tert-butyl 4-(2-methylsulfonyloxyethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H25NO5S/c1-13(2,3)19-12(15)14-8-5-11(6-9-14)7-10-18-20(4,16)17/h11H,5-10H2,1-4H3
InChI Key:
WSNYPQZNUKSYBI-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)CCOS(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.145g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.405g/mol
Monoisotopic Mass:
307.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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