4-(2-methoxyphenyl)oxane-4-carbonitrile

4-(2-methoxyphenyl)oxane-4-carbonitrile

CAS: 694463-31-5

Formula: C13H15NO2

SMILES: COC1=CC=CC=C1C1(CCOCC1)C#N

IUPAC: 4-(2-methoxyphenyl)oxane-4-carbonitrile

InChI: InChI=1S/C13H15NO2/c1-15-12-5-3-2-4-11(12)13(10-14)6-8-16-9-7-13/h2-5H,6-9H2,1H3

Composition: C (71.87%), H (6.96%), N (6.45%), O (14.73%)

Molar Mass: 217.268

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.110278727
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ATFAPVCEVDLATK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.43
Topological Polar Surface Area	42.25
Polarizability	23.69
Ring Count	2
Rotatable Bond Count	2

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