4-Amino-3-hydroxybenzoic acid

C₇H₇NO₃CAS 2374-03-0153.14 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
logP: 0.67Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed88.9% of notifiers
H315 Causes skin irritation98.1% of notifiers
H319 Causes serious eye irritation98.1% of notifiers
H335 May cause respiratory irritation96.3% of notifiers

Aggregated from 54 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

2374-03-0

SMILES

C1=CC(=C(C=C1C(=O)O)O)N

InChIKey

NFPYJDZQOKCYIE-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)

Weigh it out

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

Work with 4-Amino-3-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 3-Amino-4-hydroxybenzoic acid hydrochloride1571-65-968 % similar Protocatechuic acid99-50-367 % similar 2-Aminoterephthalic acid10312-55-763 % similar 2,2'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid41738-56-163 % similar 2-Hydroxyterephthalic acid636-94-263 % similar 4-Amino-3-mercaptobenzoic acid14543-45-462 % similar 4-Amino-3-iodobenzoic acid2122-63-662 % 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 3-Amino-4-hydroxybenzoic acid1571-72-8 2-Methoxynicotinic acid16498-81-0 4-Methyl-3-nitrophenol2042-14-0

Elsewhere

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