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1-[(1E)-2-phenylethenesulfonyl]piperidine-4-carboxylic acid

1-[(1E)-2-phenylethenesulfonyl]piperidine-4-carboxylic acid

CAS: 260441-69-8

Formula: C14H17NO4S

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

IUPAC: 1-[(1E)-2-phenylethenesulfonyl]piperidine-4-carboxylic acid

InChI: InChI=1S/C14H17NO4S/c16-14(17)13-6-9-15(10-7-13)20(18,19)11-8-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,16,17)/b11-8+

Composition: C (56.93%), H (5.80%), N (4.74%), O (21.67%), S (10.85%)

Molar Mass: 295.35

Atom Count: 37

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 295.087829205
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LAFAILDKFOBJFF-DHZHZOJOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.17
Topological Polar Surface Area 74.68
Polarizability 29.94
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 260441-69-8 $80.50-$1,973.40$80.50$124.20$302.45$1,973.40
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