Pyrogallol

C₆H₆O₃CAS 87-66-1126.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆O₃
Molar mass: 126.11 g/mol
Exact mass: 126.0317 Da
Density: 1.453 g/mL (at 4 °C)
Melting point: 133 °C
Boiling point: 309 °C
logP: 0.80Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Identifiers

CAS number

87-66-1

SMILES

Oc1cccc(O)c1O

InChIKey

WQGWDDDVZFFDIG-UHFFFAOYSA-N

InChI

InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H

Weigh it out

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

Names and synonyms

17 names · show all

1,2,3-Benzenetriol
C.I. 76515
C.I. Oxidation base 32
Fouramine brown AP
Fourrine 85
Fourrine PG
Pyrogallic acid
1,2,3-Trihydroxybenzene
2,3-Dihydroxyphenol
NSC 5035
Benzene-1,2,3-triol
Pyrogallol acid
2,6-Dihydroxyphenol
Antioxidant PY
Gallol
1,2,3-Hydroxybenzene
1,2,3-Pyrogallol

Work with Pyrogallol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Fluoro-1,2-benzenediol363-52-062 % similar 3-Methylcatechol488-17-562 % similar Catechol120-80-956 % similar 1,5-Dihydroxynaphthalene83-56-756 % similar 2,3-Dihydroxybenzaldehyde24677-78-954 % similar 2-Chlororesorcinol6201-65-653 % similar 1,8,9-Anthracenetriol480-22-852 % similar 2,3-Dihydroxybenzoic acid303-38-850 % similar

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

Same formula

Phloroglucinol108-73-6 Maltol118-71-8 Methyl furan-3-carboxylate13129-23-2 Acrylic anhydride2051-76-5 3-Methylfuran-2-carboxylic acid4412-96-8 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-8 Hydroxyquinol533-73-3 Methyl 2-furoate611-13-2

Elsewhere

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