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oxane-4-carbonitrile

oxane-4-carbonitrile

CAS: 4295-99-2

Formula: C6H9NO

SMILES: N#CC1CCOCC1

IUPAC: oxane-4-carbonitrile

InChI: InChI=1S/C6H9NO/c7-5-6-1-3-8-4-2-6/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 0
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 RLZJFTOYCVIYLE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 30.37
Topological Polar Surface Area 33.02
Polarizability 11.6
Ring Count 1
Rotatable Bond Count 0

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