chempirical

Methyl 4-amino-3-hydroxybenzoate

C8H9NO3CAS 63435-16-5167.16 g/mol

Open in Covalent MOL file
OONH2OH
EsterPhenolPrimary amine

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
119–120 °C
logP
0.76Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
63435-16-5
SMILES
COC(=O)c1ccc(N)c(O)c1
InChIKey
OCZXDVNSNDITBS-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,9H2,1H3

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Names and synonyms

6 names
  • Benzoic acid, 4-amino-3-hydroxy-, methyl ester
  • 2-Hydroxy-4-methoxycarbonylaniline
  • 4-Amino-3-hydroxybenzoic acid methyl ester
  • Methyl 3-hydroxy-4-aminobenzoate
  • Methyl 4-amino-3-hydroxybenzenecarboxylate
  • 5-Methoxycarbonyl-2-aminophenol

Work with Methyl 4-amino-3-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

Orthocaine536-25-477 % similar Methyl 3,4-dihydroxybenzoate2150-43-873 % similar Methyl 4-amino-3-methylbenzoate18595-14-765 % similar Methyl 4-amino-3-methoxybenzoate41608-64-465 % similar Dimethyl 3-aminoterephthalate5372-81-664 % similar Methyl 4-bromo-3-hydroxybenzoate106291-80-963 % similar Methyl 4-amino-3-bromobenzoate106896-49-563 % similar Methyl vanillate3943-74-663 % 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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