chempirical

3,5-Dimethoxybenzonitrile

C9H9NO2CAS 19179-31-8163.18 g/mol

Open in Covalent MOL file
ONO
Nitrile

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
Melting point
87–88 °C
logP
1.58Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
19179-31-8
SMILES
COc1cc(C#N)cc(OC)c1
InChIKey
NVTHWSJNXVDIKR-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,1-2H3

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Names and synonyms

3 names
  • Benzonitrile, 3,5-dimethoxy-
  • NSC 73710
  • 1-(Cyanomethyl)-3,5-dimethoxybenzene

Work with 3,5-Dimethoxybenzonitrile

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

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7 3,4-Dimethoxybenzonitrile2024-83-1 7-Hydroxy-3,4-dihydro-2(1H)-quinolinone22246-18-0

Elsewhere

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