4-Formyl-3-methoxybenzonitrile

C₉H₇NO₂CAS 21962-45-8161.16 g/mol

Open in Covalent MOL file

Aldehyde Ether Nitrile

Properties

Molecular formula: C₉H₇NO₂
Molar mass: 161.16 g/mol
Exact mass: 161.0477 Da
Melting point: 109–111 °C
logP: 1.38Crippen estimate
Polar surface area: 50.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

21962-45-8

SMILES

COc1cc(C#N)ccc1C=O

InChIKey

ZXENVSJZOHXCKL-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzonitrile, 4-formyl-3-methoxy-
Terephthalaldehydonitrile, 3-methoxy-
2-Methoxy-4-cyanobenzaldehyde
4-Cyano-2-methoxybenzaldehyde

Work with 4-Formyl-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

Similar compounds

4-Hydroxy-3-methoxybenzonitrile4421-08-359 % similar 2,4-Dimethoxybenzaldehyde613-45-658 % similar 3-Methoxy-4-methylbenzonitrile3556-60-357 % similar 3-Fluoro-4-formylbenzonitrile105942-10-755 % similar 4-Fluoro-3-methoxybenzonitrile243128-37-255 % similar 4-Fluoro-2-methoxybenzaldehyde450-83-955 % similar 3-Hydroxy-4-methoxybenzonitrile52805-46-655 % similar 3-Ethoxy-4-methoxybenzonitrile60758-86-353 % similar

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

Same formula

3-Phenyl-5(4H)-isoxazolone1076-59-1 8-Hydroxyquinoline N-oxide1127-45-3 7-Methylisatin1127-59-9 Methyl 4-cyanobenzoate1129-35-7 Azlactone1199-01-5 Methyl m-cyanobenzoate13531-48-1 Indole-2-carboxylic acid1477-50-5 8-Hydroxy-1H-quinolin-2-one15450-76-7

Elsewhere

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