3-Amino-4-methoxybenzoic acid

C₈H₉NO₃CAS 2840-26-8167.16 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

Identifiers

CAS number

2840-26-8

SMILES

COc1ccc(C(=O)O)cc1N

InChIKey

FDGAEAYZQQCBRN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 3-amino-4-methoxy-
p-Anisic acid, 3-amino-
4-Methoxy-3-aminobenzoic acid
2-Anisidine-5-benzoic acid

Work with 3-Amino-4-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

Veratric acid93-07-273 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-169 % similar Isovanillic acid645-08-967 % similar 3-Chloro-4-methoxybenzoic acid37908-96-665 % similar 3-Fluoro-4-methoxybenzoic acid403-20-365 % similar 3-Bromo-4-methoxybenzoic acid99-58-165 % similar 3,4-Diaminobenzoic acid619-05-664 % similar 3-Amino-4-methoxybenzamide17481-27-562 % 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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