chempirical

3-Amino-5-hydroxybenzoic acid

C7H7NO3CAS 76045-71-1153.14 g/mol

Open in Covalent MOL file
NH2OHOOH
Carboxylic acidPhenolPrimary amine

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
Melting point
242 °C
logP
0.67Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Identifiers

CAS number
76045-71-1
SMILES
Nc1cc(O)cc(C(=O)O)c1
InChIKey
QPEJHSFTZVMSJH-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11)

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

Names and synonyms

3 names
  • Benzoic acid, 3-amino-5-hydroxy-
  • 3-Hydroxy-5-aminobenzoic acid
  • 5-Amino-3-hydroxybenzoic acid

Work with 3-Amino-5-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

3,5-Diaminobenzoic acid535-87-574 % similar 3,5-Dicarboxyaniline99-31-074 % similar 5-Hydroxyisophthalic acid618-83-770 % similar 3,5-Diaminobenzoic acid dihydrochloride618-56-467 % similar 3-Amino-5-chlorobenzoic acid21961-30-861 % similar 3-Amino-5-carboxylphenylboronic acid116378-40-657 % similar 3-Amino-5-(trifluoromethyl)benzoic acid328-68-756 % similar 3-Aminobenzoic acid99-05-855 % 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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