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1227269-33-1 | 1-Piperidinecarboxylic acid, 4-(1,3-dithian-2-yl)-4-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1227269-33-1 Catalog No: AG000J4T MDL No:
Product Description
Catalog Number:
AG000J4T
Chemical Name:
1-Piperidinecarboxylic acid, 4-(1,3-dithian-2-yl)-4-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1227269-33-1
Molecular Formula:
C14H25NO3S2
Molecular Weight:
319.4832
IUPAC Name:
tert-butyl 4-(1,3-dithian-2-yl)-4-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C14H25NO3S2/c1-13(2,3)18-12(16)15-7-5-14(17,6-8-15)11-19-9-4-10-20-11/h11,17H,4-10H2,1-3H3
InChI Key:
YKJBWXLVDMRTKD-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(O)C1SCCCS1)OC(C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.478g/mol
Monoisotopic Mass:
319.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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