chempirical

Vinyl benzoate

C9H8O2CAS 769-78-8148.16 g/mol

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AlkeneEster

Properties

Molecular formula
C9H8O2
Molar mass
148.16 g/mol
Exact mass
148.0524 Da
Density
1.068 g/mL (at 20 °C)
Boiling point
72–74 °C (at 3 Torr)
logP
1.99Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
769-78-8
SMILES
C=COC(=O)c1ccccc1
InChIKey
KOZCZZVUFDCZGG-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2

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Names and synonyms

4 names
  • Benzoic acid, ethenyl ester
  • Benzoic acid, vinyl ester
  • Ethenyl benzoate
  • NSC 2296

Work with Vinyl benzoate

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

Ethenyl 4-(1,1-dimethylethyl)benzoate15484-80-759 % similar Benzoic anhydride93-97-056 % similar Benzoyl peroxide94-36-056 % similar Methyl benzoate93-58-350 % similar Peroxybenzoic acid93-59-450 % similar Phenyl benzoate93-99-250 % similar 2,5-Cyclohexadiene-1,4-dione 1,4-bis(O-benzoyloxime)120-52-548 % similar Di-O-benzoyldiethylene glycol120-55-845 % similar

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

Same formula

4-Vinylbenzoic acid1075-49-6 Dihydrocoumarin119-84-6 5-Methoxybenzofuran13391-28-1 Cinnamic acid140-10-3 3-Isochromanone4385-35-7 3,4-Dihydroisocoumarin4702-34-5 Chromanone491-37-2 α-Phenylacrylic acid492-38-6

Elsewhere

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