3-Amino-4-hydroxybenzoic acid

C₇H₇NO₃CAS 1571-72-8153.14 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₇H₇NO₃
Molar mass: 153.14 g/mol
Exact mass: 153.0426 Da
Melting point: 205 °C
logP: 0.67Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Identifiers

CAS number

1571-72-8

SMILES

Nc1cc(C(=O)O)ccc1O

InChIKey

MRBKRZAPGUCWOS-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(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-hydroxy-
4-Hydroxy-3-aminobenzoic acid
NSC 700601
3-Amino-4-hydroxylbenzoic acid

Work with 3-Amino-4-hydroxybenzoic 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

3,4-Diaminobenzoic acid619-05-670 % similar 2-Aminoterephthalic acid10312-55-768 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 3-Amino-4-fluorobenzoic acid2365-85-762 % similar 3-Amino-4-methylbenzoic acid2458-12-062 % similar 3-Amino-4-chlorobenzoic acid2840-28-062 % similar 3-Amino-4-bromobenzoic acid2840-29-162 % similar 3-Bromo-4-hydroxybenzoic acid14348-41-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitroanisole100-17-4 Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-3 2-Methoxy-4-pyridinecarboxylic acid105596-63-2 4-Methyl-2-nitrophenol119-33-5 2-Methyl-6-nitrophenol13073-29-5 2-Methoxynicotinic acid16498-81-0 4-Methyl-3-nitrophenol2042-14-0 3-Methyl-4-nitrophenol2581-34-2

Elsewhere

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