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1017798-34-3 | 1-Piperidinecarboxylic acid, 3-mercapto-, 1,1-dimethylethyl ester
CAS No: 1017798-34-3 Catalog No: AG0005KF MDL No:MFCD10566038
Product Description
Catalog Number:
AG0005KF
Chemical Name:
1-Piperidinecarboxylic acid, 3-mercapto-, 1,1-dimethylethyl ester
CAS Number:
1017798-34-3
Molecular Formula:
C10H19NO2S
Molecular Weight:
217.3284
MDL Number:
MFCD10566038
IUPAC Name:
tert-butyl 3-sulfanylpiperidine-1-carboxylate
InChI:
InChI=1S/C10H19NO2S/c1-10(2,3)13-9(12)11-6-4-5-8(14)7-11/h8,14H,4-7H2,1-3H3
InChI Key:
NVDQWJTWJOLALV-UHFFFAOYSA-N
SMILES:
SC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.114g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.327g/mol
Monoisotopic Mass:
217.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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