4-(2-methoxyphenyl)-4-oxobutanenitrile

4-(2-methoxyphenyl)-4-oxobutanenitrile

CAS: 113522-19-3

Formula: C11H11NO2

SMILES: COC1=CC=CC=C1C(=O)CCC#N

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

InChI: InChI=1S/C11H11NO2/c1-14-11-7-3-2-5-9(11)10(13)6-4-8-12/h2-3,5,7H,4,6H2,1H3

Composition: C (69.83%), H (5.86%), N (7.40%), O (16.91%)

Molar Mass: 189.214

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.078978598
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YZDPMHCJJPNPAB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.8
Topological Polar Surface Area	50.09
Polarizability	20.11
Ring Count	1
Rotatable Bond Count	4

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