chempirical

4-Acetylphenoxyacetic acid

C10H10O4CAS 1878-81-5194.19 g/mol

Open in Covalent MOL file
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AlcoholCarboxylic AcidKetone

Properties

Molecular formula
C10H10O4
Molar mass
194.19 g/mol
Exact mass
194.0579 Da
Melting point
175–177 °C
logP
1.35Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
1878-81-5
SMILES
CC(=O)c1ccc(OCC(=O)O)cc1
InChIKey
KMXZEXUYXUMHEQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, 2-(4-acetylphenoxy)-
  • Acetic acid, (p-acetylphenoxy)-
  • Acetic acid, (4-acetylphenoxy)-
  • 2-(4-Acetylphenoxy)acetic acid
  • p-Acetylphenoxyacetic acid
  • NSC 9356

Work with 4-Acetylphenoxyacetic acid

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

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

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