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methyl 1-(4-methylbenzenesulfonyl)piperidine-4-carboxylate

methyl 1-(4-methylbenzenesulfonyl)piperidine-4-carboxylate

CAS: 311794-12-4

Formula: C14H19NO4S

SMILES: COC(=O)C1CCN(CC1)S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: methyl 1-(4-methylbenzenesulfonyl)piperidine-4-carboxylate

InChI: InChI=1S/C14H19NO4S/c1-11-3-5-13(6-4-11)20(17,18)15-9-7-12(8-10-15)14(16)19-2/h3-6,12H,7-10H2,1-2H3

Composition: C (56.55%), H (6.44%), N (4.71%), O (21.52%), S (10.78%)

Molar Mass: 297.37

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 297.10347927
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KHUQXQXOWOETRF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.2
Topological Polar Surface Area 63.68
Polarizability 30.33
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 311794-12-4 $51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70
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