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ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate

ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate

CAS: 111627-26-0

Formula: C14H19NO4S

SMILES: CCOC(=O)C1CCN(CC1)S(=O)(=O)C1=CC=CC=C1

IUPAC: ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate

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

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 YQTIWLBULZHLIE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.91
Topological Polar Surface Area 63.68
Polarizability 30.41
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <16 Days 111627-26-0 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 111627-26-0 $39.00$39.00
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