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4-(3-oxopiperidin-1-yl)butanenitrile

4-(3-oxopiperidin-1-yl)butanenitrile

Formula: C9H14N2O

SMILES: O=C1CCCN(CCCC#N)C1

IUPAC: 4-(3-oxopiperidin-1-yl)butanenitrile

InChI: InChI=1S/C9H14N2O/c10-5-1-2-6-11-7-3-4-9(12)8-11/h1-4,6-8H2

Composition: C (65.03%), H (8.49%), N (16.85%), O (9.62%)

Molar Mass: 166.224

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 166.110613079
Formal Charge 0
FSP3 0.78
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XDPFKWAUFYBMMO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.04
Topological Polar Surface Area 44.1
Polarizability 18.02
Ring Count 1
Rotatable Bond Count 3

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C9H14N2O $1,760.00-$3,080.00$1,760.00$2,420.00$3,080.00
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