2-(4-methoxyphenyl)-2-methylpropanenitrile

2-(4-methoxyphenyl)-2-methylpropanenitrile

CAS: 1260639

Formula: C11H13NO

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

IUPAC: 2-(4-methoxyphenyl)-2-methylpropanenitrile

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