2-[3-(benzyloxy)cyclobutyl]acetonitrile

2-[3-(benzyloxy)cyclobutyl]acetonitrile

CAS: 1777789-92-0

Formula: C13H15NO

SMILES: N#CCC1CC(C1)OCC1=CC=CC=C1

IUPAC: 2-[3-(benzyloxy)cyclobutyl]acetonitrile

InChI: InChI=1S/C13H15NO/c14-7-6-12-8-13(9-12)15-10-11-4-2-1-3-5-11/h1-5,12-13H,6,8-10H2

Composition: C (77.58%), H (7.51%), N (6.96%), O (7.95%)

Molar Mass: 201.269

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.115364107
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KDHCQHWJIJPVQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.23
Topological Polar Surface Area	33.02
Polarizability	23.02
Ring Count	2
Rotatable Bond Count	4

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