Methyl 4-acetamido-2-hydroxybenzoate

C10H11NO4CAS 4093-28-1209.20 g/mol

Open in Covalent MOL file
OONHOHO
EsterPhenol

Properties

Molecular formula
C10H11NO4
Molar mass
209.20 g/mol
Exact mass
209.0688 Da
Melting point
150 °C
logP
1.79Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
4093-28-1
SMILES
COC(=O)c1ccc(N=C(C)O)cc1O
InChIKey
LCXHOHRQXZMSQN-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO4/c1-6(12)11-7-3-4-8(9(13)5-7)10(14)15-2/h3-5,13H,1-2H3,(H,11,12)

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Names and synonyms

9 names
  • Benzoic acid, 4-(acetylamino)-2-hydroxy-, methyl ester
  • Salicylic acid, 4-acetamido-, methyl ester
  • Methyl 4-acetamidosalicylate
  • 4-(Acetylamino)-2-hydroxybenzoic acid methyl ester
  • Methyl 4-(acetylamino)-2-hydroxybenzoate
  • Methyl 2-hydroxy-4-acetamidobenzoate
  • Methyl 2-hydroxy-4-(acetylamino)benzoate
  • Methyl 4-(acetylamino)salicylate
  • 4-Acetylaminosalicylic acid methyl ester

Work with Methyl 4-acetamido-2-hydroxybenzoate

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-methoxybenzoate4093-29-270 % similar 4-Acetamidosalicylic acid50-86-266 % similar Ethopabate59-06-364 % similar Methyl 2,4-dihydroxybenzoate2150-47-259 % similar Methyl 2-hydroxy-p-toluate4670-56-857 % similar Methyl 2-hydroxy-4-iodobenzoate18179-39-056 % similar Methyl 4-fluorosalicylate392-04-156 % similar Methyl 4-amino-2-hydroxybenzoate4136-97-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-4 N-Phenyliminodiacetic acid1137-73-1 Benzyloxycarbonylglycine1138-80-3 Alpha-Methyl-4-carboxyphenylglycine146669-29-6 2-(4-Formyl-2-methoxyphenoxy)acetamide186685-89-2 2,4-Dimethoxy-omega-nitrostyrene1891-10-7 Dimethyl 3-aminobenzene-1,2-dicarboxylate34529-06-1 2,5-Dimethoxy-beta-nitrostyrene40276-11-7

Elsewhere

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