4-methoxy-4-phenylbutanenitrile

4-methoxy-4-phenylbutanenitrile

CAS: 71172-63-9

Formula: C11H13NO

SMILES: COC(CCC#N)C1=CC=CC=C1

IUPAC: 4-methoxy-4-phenylbutanenitrile

InChI: InChI=1/C11H13NO/c1-13-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8H2,1H3

Composition: C (75.40%), H (7.48%), N (7.99%), O (9.13%)

Molar Mass: 175.231

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	175.099714043
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NBSOTRJRBXRKLZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.81
Topological Polar Surface Area	33.02
Polarizability	20.07
Ring Count	1
Rotatable Bond Count	4

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