5-Methoxyanthranilic acid

C₈H₉NO₃CAS 6705-03-9167.16 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₈H₉NO₃
Molar mass: 167.16 g/mol
Exact mass: 167.0582 Da
logP: 0.98Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed87.5% of notifiers
H315 Causes skin irritation12.5% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation10.4% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6705-03-9

SMILES

COC1=CC(=C(C=C1)N)C(=O)O

InChIKey

UMKSAURFQFUULT-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)

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Names and synonyms

1 names

2-Amino-5-methoxybenzoic acid

Work with 5-Methoxyanthranilic 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

2-Amino-4-methoxybenzoic acid4294-95-579 % similar 4-Methoxyphthalic acid1885-13-873 % similar 2,5-Dimethoxybenzoic acid2785-98-069 % similar 5-Methoxysalicylic acid2612-02-467 % similar 2-Bromo-5-methoxybenzoic acid22921-68-265 % similar 2-Fluoro-5-methoxybenzoic acid367-83-965 % similar 2-Chloro-5-methoxybenzoic acid6280-89-365 % similar 2-Amino-4,5-dimethoxybenzoic acid5653-40-765 % 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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