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3,6-dihydro-2H-pyran-4-carbonitrile

3,6-dihydro-2H-pyran-4-carbonitrile

CAS: 105772-13-2

Formula: C6H7NO

SMILES: N#CC1=CCOCC1

IUPAC: 3,6-dihydro-2H-pyran-4-carbonitrile

InChI: InChI=1S/C6H7NO/c7-5-6-1-3-8-4-2-6/h1H,2-4H2

Composition: C (66.04%), H (6.47%), N (12.84%), O (14.66%)

Molar Mass: 109.128

Atom Count: 15

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 109.052763849
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MICNNRIXWURVND-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.1
Topological Polar Surface Area 33.02
Polarizability 11.35
Ring Count 1
Rotatable Bond Count 0

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