3-(benzyloxy)cyclobutane-1-carbonitrile

3-(benzyloxy)cyclobutane-1-carbonitrile

CAS: 1566444-05-0

Formula: C12H13NO

SMILES: N#CC1CC(C1)OCC1=CC=CC=C1

IUPAC: 3-(benzyloxy)cyclobutane-1-carbonitrile

InChI: InChI=1S/C12H13NO/c13-8-11-6-12(7-11)14-9-10-4-2-1-3-5-10/h1-5,11-12H,6-7,9H2

Composition: C (76.98%), H (7.00%), N (7.48%), O (8.54%)

Molar Mass: 187.242

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.099714043
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JWPBFHWOFVDCMO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.66
Topological Polar Surface Area	33.02
Polarizability	21.18
Ring Count	2
Rotatable Bond Count	3

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