chempirical

Methyl 5-amino-2-hydroxybenzoate

C8H9NO3CAS 42753-75-3167.16 g/mol

Open in Covalent MOL file
OONH2HO
EsterPhenolPrimary amine

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
97–98 °C
logP
0.76Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
42753-75-3
SMILES
COC(=O)c1cc(N)ccc1O
InChIKey
MXUHMQZOATZRIK-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,9H2,1H3

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

Names and synonyms

6 names
  • Benzoic acid, 5-amino-2-hydroxy-, methyl ester
  • Methyl 5-aminosalicylate
  • Methyl m-aminosalicylate
  • Methyl 2-hydroxy-5-aminobenzoate
  • 5-Amino-2-hydroxybenzoic acid methyl ester
  • 4-Amino-2-(methoxycarbonyl)phenol

Work with Methyl 5-amino-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-amino-2-hydroxybenzoate4136-97-477 % similar Methyl 2,5-dihydroxybenzoate2150-46-167 % similar 4-Hydroxyisophthalic acid dimethyl ester5985-24-067 % similar Methyl 5-methylsalicylate22717-57-365 % similar Methyl 5-iodosalicylate4068-75-163 % similar 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-263 % similar Methyl 5-chloro-2-hydroxybenzoate4068-78-463 % similar Methyl 5-acetylsalicylate16475-90-462 % similar

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

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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