chempirical

2-Methoxybenzeneacetonitrile

C9H9NOCAS 7035-03-2147.18 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
Melting point
69.8 °C
Boiling point
114 °C (at 3 Torr)
logP
1.76Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
7035-03-2
SMILES
COc1ccccc1CC#N
InChIKey
DWJKILXTMUGXOU-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-11-9-5-3-2-4-8(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

8 names
  • Benzeneacetonitrile, 2-methoxy-
  • Acetonitrile, (o-methoxyphenyl)-
  • o-Methoxyphenylacetonitrile
  • 2-Methoxyphenylacetonitrile
  • 2-Methoxybenzyl cyanide
  • o-Methoxybenzyl cyanide
  • 2-(o-Methoxyphenyl)acetonitrile
  • 2-(2-Methoxyphenyl)acetonitrile

Work with 2-Methoxybenzeneacetonitrile

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydroxy-3-methoxybenzeneacetonitrile42973-56-870 % similar 1,2-Benzenediacetonitrile613-73-058 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-458 % similar 2-Methoxybenzyl alcohol612-16-855 % similar 2-Methoxybenzylamine6850-57-355 % similar 2-Methoxybenzyl chloride7035-02-155 % similar 2-Methylphenylacetonitrile22364-68-752 % similar 2-Aminobenzeneacetonitrile2973-50-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 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

Elsewhere

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