1-(3,4-dimethoxyphenyl)cyclobutane-1-carbonitrile

1-(3,4-dimethoxyphenyl)cyclobutane-1-carbonitrile

CAS: 147406-21-1

Formula: C13H15NO2

SMILES: COC1=CC=C(C=C1OC)C1(CCC1)C#N

IUPAC: 1-(3,4-dimethoxyphenyl)cyclobutane-1-carbonitrile

InChI: InChI=1S/C13H15NO2/c1-15-11-5-4-10(8-12(11)16-2)13(9-14)6-3-7-13/h4-5,8H,3,6-7H2,1-2H3

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	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CNIUDDCUDAJTLE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.15
Topological Polar Surface Area	42.25
Polarizability	23.68
Ring Count	2
Rotatable Bond Count	3

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