Methyl 5-hydroxyanthranilate

C8H9NO3CAS 1882-72-0167.16 g/mol

Open in Covalent MOL file
OOOHH2N
EsterPhenolPrimary amine

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
158 °C
logP
0.76Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
1882-72-0
SMILES
COC(=O)c1cc(O)ccc1N
InChIKey
DWBKSTKVIIRFHL-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4,10H,9H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 2-amino-5-hydroxy-, methyl ester
  • Anthranilic acid, 5-hydroxy-, methyl ester
  • 4-Amino-3-methoxycarbonylphenol
  • Methyl 2-amino-5-hydroxybenzoate
  • 5-Hydroxyanthranilic acid methyl ester
  • 2-Amino-5-hydroxybenzoic acid methyl ester

Work with Methyl 5-hydroxyanthranilate

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

Dimethyl 4-hydroxyphthalate22479-95-471 % similar Methyl 2-amino-5-bromobenzoate52727-57-868 % similar Methyl 2,5-dihydroxybenzoate2150-46-167 % similar Methyl 5-methylanthranilate18595-16-965 % similar Methyl 2-amino-5-methoxybenzoate2475-80-165 % similar Methyl 2-fluoro-4-hydroxybenzoate197507-22-563 % similar Methyl 2-amino-5-fluorobenzoate319-24-463 % similar Methyl 2-amino-5-chlorobenzoate5202-89-163 % 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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