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benzyl 4-(dicyanomethylidene)piperidine-1-carboxylate

benzyl 4-(dicyanomethylidene)piperidine-1-carboxylate

Formula: C16H15N3O2

SMILES: O=C(OCC1=CC=CC=C1)N1CCC(CC1)=C(C#N)C#N

IUPAC: benzyl 4-(dicyanomethylidene)piperidine-1-carboxylate

InChI: InChI=1S/C16H15N3O2/c17-10-15(11-18)14-6-8-19(9-7-14)16(20)21-12-13-4-2-1-3-5-13/h1-5H,6-9,12H2

Composition: C (68.31%), H (5.37%), N (14.94%), O (11.37%)

Molar Mass: 281.315

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 281.116426735
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VILUUKGWRFDLBG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.31
Topological Polar Surface Area 77.12
Polarizability 29.37
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H15N3O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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