chempirical

4-Methoxybenzonitrile

C8H7NOCAS 874-90-8133.15 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C8H7NO
Molar mass
133.15 g/mol
Exact mass
133.0528 Da
Melting point
61.5 °C
Boiling point
256.5 °C
logP
1.57Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
874-90-8
SMILES
COc1ccc(C#N)cc1
InChIKey
XDJAAZYHCCRJOK-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzonitrile, 4-methoxy-
  • p-Anisonitrile
  • p-Cyanoanisole
  • p-Methoxybenzonitrile
  • p-Methoxyphenyl cyanide
  • p-Anisylnitrile
  • 4-Cyanoanisole
  • 4-Cyanomethoxybenzene
  • p-Cyanophenyl methyl ether
  • 1-Cyano-4-methoxybenzene
  • p-Methoxycyanobenzene
  • NSC 3777
  • NSC 71539
  • p-Anisolecarbonitrile
  • Aubepinenitrile
  • 4-Methoxybenzenenitrile

Work with 4-Methoxybenzonitrile

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

Similar compounds

6-Methoxynaphthalene-2-carbonitrile67886-70-866 % similar 3,5-Dimethoxybenzonitrile19179-31-862 % similar 1,4-Dimethoxybenzene150-78-757 % similar 3,4-Dimethoxybenzonitrile2024-83-157 % similar 1,4-Dicyanobenzene623-26-757 % similar 4-Phenoxybenzonitrile3096-81-956 % similar 1-Ethynyl-4-methoxybenzene768-60-556 % similar 4-Ethoxybenzonitrile25117-74-255 % similar

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

Same formula

(+)-Mandelonitrile10020-96-9 5-Methylbenzoxazole10531-78-9 4-Hydroxybenzyl cyanide14191-95-8 3-Methoxybenzonitrile1527-89-5 5-Hydroxyindole1953-54-4 7-Hydroxyindole2380-84-9 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1

Elsewhere

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