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208245-69-6 | 1-Piperidinecarboxylic acid, 4-(methylthio)-, 1,1-dimethylethyl ester
CAS No: 208245-69-6 Catalog No: AG002JLO MDL No:MFCD14706081
Product Description
Catalog Number:
AG002JLO
Chemical Name:
1-Piperidinecarboxylic acid, 4-(methylthio)-, 1,1-dimethylethyl ester
CAS Number:
208245-69-6
Molecular Formula:
C11H21NO2S
Molecular Weight:
231.3549
MDL Number:
MFCD14706081
IUPAC Name:
tert-butyl 4-methylsulfanylpiperidine-1-carboxylate
InChI:
InChI=1S/C11H21NO2S/c1-11(2,3)14-10(13)12-7-5-9(15-4)6-8-12/h9H,5-8H2,1-4H3
InChI Key:
RBSTYDJFVDTJPH-UHFFFAOYSA-N
SMILES:
CSC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.129g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.354g/mol
Monoisotopic Mass:
231.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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