3-Methoxybenzonitrile

C₈H₇NOCAS 1527-89-5133.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇NO
Molar mass: 133.15 g/mol
Exact mass: 133.0528 Da
Boiling point: 164–165 °C (at 20 Torr)
logP: 1.57Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

1527-89-5

SMILES

COc1cccc(C#N)c1

InChIKey

KLXSUMLEPNAZFK-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3

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

Names and synonyms

6 names

Benzonitrile, 3-methoxy-
m-Anisonitrile
m-Methoxybenzonitrile
m-Cyanoanisole
3-Cyanoanisole
NSC 225049

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Same formula

(+)-Mandelonitrile10020-96-9 5-Methylbenzoxazole10531-78-9 4-Hydroxybenzyl cyanide14191-95-8 5-Hydroxyindole1953-54-4 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1 Benzyl isocyanate3173-56-6 Isoindolinone480-91-1

Elsewhere

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