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102070-99-5 | 4-Piperidinecarboxylic acid, 1-methyl-4-[[(phenylthio)carbonyl]oxy]-, methyl ester
CAS No: 102070-99-5 Catalog No: AG0006IA MDL No:
Product Description
Catalog Number:
AG0006IA
Chemical Name:
4-Piperidinecarboxylic acid, 1-methyl-4-[[(phenylthio)carbonyl]oxy]-, methyl ester
CAS Number:
102070-99-5
Molecular Formula:
C15H19NO4S
Molecular Weight:
309.3807
IUPAC Name:
methyl 1-methyl-4-phenylsulfanylcarbonyloxypiperidine-4-carboxylate
InChI:
InChI=1S/C15H19NO4S/c1-16-10-8-15(9-11-16,13(17)19-2)20-14(18)21-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChI Key:
AFEAKHPNRXBSOT-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCN(CC1)C)OC(=O)Sc1ccccc1
NSC Number:
665872
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.38g/mol
Monoisotopic Mass:
309.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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