chempirical

Methyl 4-acetoxybenzoate

C10H10O4CAS 24262-66-6194.19 g/mol

Open in Covalent MOL file
OOOO
Ester

Properties

Molecular formula
C10H10O4
Molar mass
194.19 g/mol
Exact mass
194.0579 Da
Melting point
79–81 °C
logP
1.40Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
24262-66-6
SMILES
COC(=O)c1ccc(OC(C)=O)cc1
InChIKey
PGJQPLVEUVHSFQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O4/c1-7(11)14-9-5-3-8(4-6-9)10(12)13-2/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 4-(acetyloxy)-, methyl ester
  • Benzoic acid, p-hydroxy-, methyl ester, acetate
  • Methyl p-acetoxybenzoate
  • p-(Methoxycarbonyl)phenyl acetate
  • 4-(Methoxycarbonyl)phenyl acetate
  • 4-Acetoxybenzoic acid methyl ester

Work with Methyl 4-acetoxybenzoate

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

Methyl anisate121-98-263 % similar 1-[4-(Acetyloxy)phenyl]ethanone13031-43-161 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-558 % similar P-Acetoxybenzoic acid2345-34-857 % similar Methyl 4-ethoxybenzoate23676-08-656 % similar Dienestrol diacetate84-19-556 % similar 4-Methylphenyl acetate140-39-655 % similar Methyl P-toluate99-75-255 % similar

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

Same formula

1,3-Dihydroxybenzene diacetate108-58-7 Ferulic acid1135-24-6 1,4-Diacetoxybenzene1205-91-0 Dimethyl terephthalate120-61-6 Dimethyl phthalate131-11-3 Dimethyl isophthalate1459-93-4 Methyl 5-acetylsalicylate16475-90-4 Kakuol18607-90-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook