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(1R,5S)-8-oxabicyclo[3.2.1]octane-3-carbonitrile

(1R,5S)-8-oxabicyclo[3.2.1]octane-3-carbonitrile

CAS: 2227197-28-4

Formula: C8H11NO

SMILES: N#CC1C[C@@H]2CC[C@H](C1)O2

IUPAC: (1R,5S)-8-oxabicyclo[3.2.1]octane-3-carbonitrile

InChI: InChI=1S/C8H11NO/c9-5-6-3-7-1-2-8(4-6)10-7/h6-8H,1-4H2/t6?,7-,8+

Composition: C (70.04%), H (8.08%), N (10.21%), O (11.66%)

Molar Mass: 137.182

Atom Count: 21

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 137.084063978
Formal Charge 0
FSP3 0.87
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XBUUNYOCQXPUMU-IEESLHIDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.26
Topological Polar Surface Area 33.02
Polarizability 14.55
Ring Count 2
Rotatable Bond Count 0

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