4-Amino-2-methoxybenzoic acid

C₈H₉NO₃CAS 2486-80-8167.16 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
Melting point: 217–218 °C
logP: 0.98Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

2486-80-8

SMILES

COc1cc(N)ccc1C(=O)O

InChIKey

OLJXRTRRJSMURJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/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, 4-amino-2-methoxy-
o-Anisic acid, 4-amino-
2-Methoxy-4-aminobenzoic acid
NSC 208766

Work with 4-Amino-2-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

2,4-Dimethoxybenzoic acid91-52-167 % similar Methyl 4-amino-2-methoxybenzoate27492-84-863 % similar 4-Fluoro-2-methoxybenzoic acid395-82-463 % similar 4-Chloro-2-methoxybenzoic acid57479-70-663 % similar 2-Amino-4,5-dimethoxybenzoic acid5653-40-763 % similar 4-Aminophthalic acid5434-21-962 % similar 2,4,5-Trimethoxybenzoic acid490-64-260 % similar 4-Amino-2-methylbenzoic acid2486-75-159 % 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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