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oxane-2-carbonitrile

oxane-2-carbonitrile

CAS: 5397-43-3

Formula: C6H9NO

SMILES: N#CC1CCCCO1

IUPAC: oxane-2-carbonitrile

InChI: InChI=1/C6H9NO/c7-5-6-3-1-2-4-8-6/h6H,1-4H2

Composition: C (64.84%), H (8.16%), N (12.60%), O (14.39%)

Molar Mass: 111.144

Atom Count: 17

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 111.068413914
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LNHZORZALMMUQW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.96
Topological Polar Surface Area 33.02
Polarizability 11.6
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 5397-43-3 $235.87-$884.52$235.87$442.26$884.52
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