2-(3-methoxyphenyl)-2-methylpropanenitrile

2-(3-methoxyphenyl)-2-methylpropanenitrile

CAS: 17653-93-9

Formula: C11H13NO

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

IUPAC: 2-(3-methoxyphenyl)-2-methylpropanenitrile

InChI: InChI=1S/C11H13NO/c1-11(2,8-12)9-5-4-6-10(7-9)13-3/h4-7H,1-3H3

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	0
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	YMUMJIHZRRIBPK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.88
Topological Polar Surface Area	33.02
Polarizability	20.05
Ring Count	1
Rotatable Bond Count	2

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