3,4-Dihydroxybenzamide

C₇H₇NO₃CAS 54337-90-5153.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₇NO₃
Molar mass: 153.14 g/mol
Exact mass: 153.0426 Da
Melting point: 216–218 °C
logP: 0.98Crippen estimate
Polar surface area: 84.5 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 1

Identifiers

CAS number

54337-90-5

SMILES

N=C(O)c1ccc(O)c(O)c1

InChIKey

GNWREYFHYLIYJE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzamide, 3,4-dihydroxy-
4-Carbamoyl-1,2-benzenediol

Work with 3,4-Dihydroxybenzamide

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

3,4,5-Trihydroxybenzamide618-73-561 % similar 4-Bromo-3,5-dihydroxybenzamide13429-12-457 % similar 1,3-Benzenedicarboxamide1740-57-456 % similar Protocatechuic acid99-50-353 % similar 2-Naphthalenecarboxamide2243-82-552 % similar 3,4-Difluorobenzamide85118-04-352 % similar 5-Acetyl-2-hydroxybenzamide40187-51-750 % similar 3,4-Dihydroxybenzoic acid hydrazide39635-11-548 % 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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