chempirical

4-Acetamidosalicylic acid

C9H9NO4CAS 50-86-2195.17 g/mol

Open in Covalent MOL file
OHNOOHOH
Carboxylic acidPhenol

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
220–232 °C (decomposes)
logP
1.70Crippen estimate
Polar surface area
90.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
50-86-2
SMILES
CC(O)=Nc1ccc(C(=O)O)c(O)c1
InChIKey
YBTVSGCNBZPRBD-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)

Weigh it out

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

Names and synonyms

11 names
  • Benzoic acid, 4-(acetylamino)-2-hydroxy-
  • Salicylic acid, 4-acetamido-
  • 4-(Acetylamino)-2-hydroxybenzoic acid
  • N-Acetyl-4-aminosalicylic acid
  • N-Acetyl-p-aminosalicylic acid
  • p-Acetamidosalicylic acid
  • 3-Hydroxy-4-carboxyacetanilide
  • 2-Hydroxy-4-acetamidobenzoic acid
  • NSC 54182
  • 4-Acetamido-2-hydroxybenzoic acid
  • p-(Acetylamino)salicylic acid

Work with 4-Acetamidosalicylic 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

Similar compounds

Methyl 4-acetamido-2-hydroxybenzoate4093-28-166 % similar 5-Acetamidoanthranilic acid50670-83-263 % similar Acedoben556-08-157 % similar 5-Acetamido-2-nitrobenzoic acid4368-83-656 % similar 4-Methylsalicylic acid50-85-155 % similar 3-Acetamidobenzoic acid587-48-455 % similar 4-Methoxysalicylic acid2237-36-753 % similar Olsalazine15722-48-251 % similar

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

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5 Salicylamide O-acetic acid25395-22-6

Elsewhere

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