chempirical

(4-Methoxyphenyl)acetonitrile

C9H9NOCAS 104-47-2147.18 g/mol

Open in Covalent MOL file
ON
Nitrile

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
Boiling point
286.5 °C
logP
1.76Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
104-47-2
SMILES
COc1ccc(CC#N)cc1
InChIKey
PACGLQCRGWFBJH-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Benzeneacetonitrile, 4-methoxy-
  • Acetonitrile, (p-methoxyphenyl)-
  • 4-Methoxybenzeneacetonitrile
  • p-Methoxybenzyl cyanide
  • (p-Methoxyphenyl)acetonitrile
  • p-Methoxybenzeneacetonitrile
  • p-Anisylacetonitrile
  • 4-Methoxybenzyl cyanide
  • NSC 96
  • p-Methoxybenzylnitrile
  • 2-(4-Methoxyphenyl)acetonitrile
  • PAI 106
  • 1-(Cyanomethyl)-4-methoxybenzene

Work with (4-Methoxyphenyl)acetonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

5-Methoxyindole1006-94-6 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7 1-Furfurylpyrrole1438-94-4

Elsewhere

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