chempirical

2-(Acetyloxy)benzonitrile

C9H7NO2CAS 5715-02-6161.16 g/mol

Open in Covalent MOL file
OON
EsterNitrile

Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
logP
1.48Crippen estimate
Polar surface area
50.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
5715-02-6
SMILES
CC(=O)Oc1ccccc1C#N
InChIKey
XXLKCUTUGWSJJO-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzonitrile, 2-(acetyloxy)-
  • Salicylonitrile, acetate
  • Acetylsalicylonitrile
  • 2-Cyanophenyl acetate
  • 2-Acetoxybenzonitrile
  • o-Acetoxybenzonitrile

Work with 2-(Acetyloxy)benzonitrile

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

Acetpyrogall525-52-059 % similar 2-Methylphenyl acetate533-18-656 % similar 2-Chlorophenyl acetate4525-75-154 % similar 1-Naphthyl acetate830-81-953 % similar 2-Methoxybenzonitrile6609-56-952 % similar Aspirin50-78-250 % similar Acetylsalicyloyl chloride5538-51-250 % similar Methyl 2-acetoxybenzoate580-02-949 % 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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