chempirical

3-Hydroxyacetanilide

C8H9NO2CAS 621-42-1151.16 g/mol

Open in Covalent MOL file
OHNOH
Phenol

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
147 °C
Water solubility
< 1 g/L (22.2 °C)
logP
2.00Crippen estimate
Polar surface area
52.8 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
621-42-1
SMILES
CC(O)=Nc1cccc(O)c1
InChIKey
QLNWXBAGRTUKKI-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

20 names · show all
  • 3-Acetamidophenol
  • Acetamide, N-(3-hydroxyphenyl)-
  • Acetanilide, 3′-hydroxy-
  • N-(3-Hydroxyphenyl)acetamide
  • m-Hydroxyacetanilide
  • Metalid
  • Pedituss
  • Pyrapap
  • Rystal
  • m-Acetamidophenol
  • 3′-Hydroxyacetanilide
  • 3-(Acetylamino)phenol
  • Metacetamol
  • N-Acetyl-m-aminophenol
  • m-(Acetylamino)phenol
  • BS 479
  • 3-(Acetylamino)-1-hydroxybenzene
  • N-Acetyl-3-hydroxyaniline
  • BS 749
  • NSC 3990

Work with 3-Hydroxyacetanilide

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

N-(3-Fluorophenyl)acetamide351-28-063 % similar N-(3-Methylphenyl)acetamide537-92-863 % similar N-(3-Chlorophenyl)acetamide588-07-863 % similar 3-Aminoacetanilide102-28-361 % similar N-[3-(Methylthio)phenyl]acetamide2524-78-959 % similar Acetanilide103-84-459 % similar N-[3-(Trifluoromethyl)phenyl]acetamide351-36-056 % similar 3-Acetamidobenzoic acid587-48-456 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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