4-Amino-3-methoxybenzoic acid

C₈H₉NO₃CAS 2486-69-3167.16 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2486-69-3

SMILES

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

InChIKey

JNFGLYJROFAOQP-UHFFFAOYSA-N

InChI

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

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Work with 4-Amino-3-methoxybenzoic 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

3-Amino-4-methoxybenzoic acid2840-26-876 % similar Veratric acid93-07-273 % similar Vanillic acid121-34-667 % similar 3-Methoxy-4-methylbenzoic acid7151-68-067 % similar 4-Bromo-3-methoxybenzoic acid56256-14-565 % similar 4-Fluoro-3-methoxybenzoic acid82846-18-265 % similar 4-Amino-3-(trifluoromethoxy)benzoic acid175278-22-564 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-164 % 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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