(3-Methylphenyl)acetonitrile

C₉H₉NCAS 2947-60-6131.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉N
Molar mass: 131.18 g/mol
Exact mass: 131.0735 Da
Boiling point: 248 °C
logP: 2.06Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

2947-60-6

SMILES

Cc1cccc(CC#N)c1

InChIKey

WOJADIOTNFDWNQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5H2,1H3

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

Names and synonyms

10 names

NSC 20695
Benzeneacetonitrile, 3-methyl-
Acetonitrile, m-tolyl-
3-Methylbenzeneacetonitrile
m-Methylbenzyl cyanide
m-Methylphenylacetonitrile
3-Methylbenzyl cyanide
m-Tolylacetonitrile
2-(m-Tolyl)acetonitrile
2-(3-Methylphenyl)acetonitrile

Work with (3-Methylphenyl)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

2,5-Dimethylbenzonitrile13730-09-1 4-Methylindole16096-32-5 2-Phenylpropionitrile1823-91-2 2,4-Dimethylbenzonitrile21789-36-6 2-Methylphenylacetonitrile22364-68-7 3,5-Dimethylbenzonitrile22445-42-7 3,4-Dimethylbenzonitrile22884-95-3 4-Ethylbenzonitrile25309-65-3

Elsewhere

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