2-(2-methoxyphenyl)acetonitrile

2-(2-methoxyphenyl)acetonitrile

CAS: 7035-03-2

Formula: C9H9NO

SMILES: COC1=CC=CC=C1CC#N

IUPAC: 2-(2-methoxyphenyl)acetonitrile

InChI: InChI=1S/C9H9NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6H2,1H3

Composition: C (73.45%), H (6.16%), N (9.52%), O (10.87%)

Molar Mass: 147.177

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	147.068413914
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DWJKILXTMUGXOU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.81
Topological Polar Surface Area	33.02
Polarizability	16.37
Ring Count	1
Rotatable Bond Count	2

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