Compound: pyrogallol
SMILES: Oc1c(O)cccc1O
InChIKey: WQGWDDDVZFFDIG-UHFFFAOYSA-N
Synonyms: pyrogallol, benzene-1,2,3-triol, 87-66-1, 1,2,3-trihydroxybenzene, pyrogallic acid, 1,2,3-benzenetriol, fourrine PG, Fouramine Brown AP, fourrine 85, Pyro, C.I. Oxidation Base 32, fouramine base ap, 1,2,3-Trihydroxybenzen, C.I. 76515, CI Oxidation Base 32, Benzene, 1,2,3-trihydroxy-, NSC-5035, DTXSID6025983, 01Y4A2QXY0, CI 76515, DTXCID905983, CHEBI:16164, acid, Pyrogallic, RefChem:6187, 201-762-9, Piral, NSC 5035, 2,3-Dihydroxyphenol, 1,2,3-Trihydroxybenzen [Czech], 1,2,3-TRIHYDROXY-BENZENE, MFCD00002192, Pyrogallic, CHEMBL307145, Benzene-1,2,3-triol (Pyrogallol), NCGC00091507-01, 1,2,3-Trihydroxybenzen (CZECH), Pyrogallol acid, CAS-87-66-1, Pyrogallol [NF], 30813-84-4, PYG, CCRIS 1940, HSDB 794, PYROGALLOL, ACS, EINECS 201-762-9, BRN 0907431, UNII-01Y4A2QXY0, trihydroxybenzene, AI3-00709, 1,3-Benzenetriol, PYROP, Pyrogallol ACS grade, 1,3-Trihydroxybenzen, Pyrogallol (Standard), 1,3-Trihydroxybenzene, benzene-1,2-3-triol, PYROGALLOL [MI], Pyrogallol, ACS reagent, Phloroglucinol Impurity A, Phloroglucinol Impurity 9, PYROGALLOL [HSDB], Benzene,2,3-trihydroxy-, WLN: QR BQ CQ, PYROGALLOL [VANDF], PYROGALLOL [MART.], SCHEMBL3532, PYROGALLOL [WHO-DD], C.I.  Oxidation Base 32, 4-06-00-07327 (Beilstein Handbook Reference), MLS001066376, SCHEMBL128397, SCHEMBL133762, Pyrogallol, analytical standard, orb1303806, orb3140128, SCHEMBL7306041, 1,2,3-Trihydroxybenzene, XIV, Pyrogallol, >=98% (HPLC), Pyrogallol, p.a., ACS reagent, SCHEMBL17273896, GTPL13596, HY-N1579R, NSC5035, HMS5082C21, HY-N1579, Pyrogallol, ACS reagent, >=99%, STR08708, Tox21_111143, Tox21_202373, BBL011607, BDBM50031472, EBC-44286, Pyrogallol, Vetec(TM) reagent grade, s3885, SBB060422, STL163335, AKOS000120163, MSK9313-1000M, CCG-266100, CS-W019928, FP39697, 1,2,3-Benzenetriol (ACD/Name 4.0), NCGC00091507-02, NCGC00091507-03, NCGC00259922-01, Pyrogallol, purum, >=98.0% (HPLC), AC-11384, BP-12538, DA-40956, GMN, Pyrogallol, SAJ first grade, >=98.0%, SMR000471842, Pyrogallol(Discontinued,See C4X-22179), Pyrogallol, JIS special grade, >=99.0%, NS00014915, P0570, ST51046603, EN300-18055, A11637, C01108, AB-131/40221933, F079472, Q388692, 1,2,3-Benzenetriol Solution in Methanol, 1000ug/mL, Z57127553, F0001-2163, InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9
Theoretical properties:
molecular_formula: C6H6O3
molecular_weight: 126.11 g/mol
exact_mass: 126.031694049 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 9
topological_polar_surface_area: 60.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White, lustrous crystals or plates
color: White, lustrous crystals or plates
odor: Odorless
boiling_point: 588 °F at 760 mmHg (Decomposes at 559 °F) (NTP, 1992)
melting_point: 271 to 273 °F (NTP, 1992)
density: 1.45 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: greater than or equal to 100 mg/mL at 77 °F (NTP, 1992)
vapor_pressure: 10 mmHg at 333.9 °F (NTP, 1992)
Descriptions:
pubchem: Pyrogallol is a benzenetriol carrying hydroxy groups at positions 1, 2 and 3. It has a role as a plant metabolite. It is a phenolic donor and a benzenetriol.
chebi: A  benzenetriol carrying hydroxy groups at positions 1, 2 and 3.
chembl: PYROGALLOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Pyrogallol is an organic compound with the formula C6H3(OH)3. It is a water-soluble, white solid although samples are typically brownish because of its sensitivity toward oxygen. It is one of three isomers of benzenetriols.