1,2,4-Benzenetriol
PubChem CID: 10787
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| Compound Synonyms | 1,2,4-BENZENETRIOL, Benzene-1,2,4-triol, 533-73-3, 1,2,4-Trihydroxybenzene, Hydroxyhydroquinone, Hydroxyquinol, Oxyhydroquinone, 2,5-Dihydroxyphenol, Oxyhydrochinon, 4-Hydroxycatechol, Hydroquinone, hydroxy-, 1,3,4-Trihydroxybenzene, 1,3,4-Benzenetriol, Oxyhydrochinon [German], NSC 2818, CCRIS 2987, EINECS 208-575-1, UNII-173O8B04RD, BRN 2042863, CHEBI:16971, IMEXINE OAM, AI3-19361, NSC-2818, MFCD00002198, 2-Hydroxy-1,4-hydroquinone, 2-Hydroxy-p-benzohydroquinone, DTXSID3040930, 173O8B04RD, 4-06-00-07338 (Beilstein Handbook Reference), 1,2,4-BENZENETRIOL [MI], 1,4-Benzenetriol, Benzene-1,4-triol, 1,4-Trihydroxybenzene, monohydroxy hydroquinone, WLN: QR BQ DQ, bmse000831, 1,2,4-trihydroxy benzene, SCHEMBL33527, CHEMBL3092389, DTXCID1020930, NSC2818, 1,2,4-Benzenetriol technical grade, c0264, AKOS015889832, CS-W011167, DS-8585, FB18185, HY-W010451, 1,2,4-TRIHYDROXYBENZENE [INCI], AC-12373, PD158277, SY004215, DB-018727, 1,2,4-Benzenetriol, ReagentPlus(R), 99%, H0249, NS00001197, C02814, EN300-141499, Q903332, 1,2,4-Benzenetriol, Vetec(TM) reagent grade, 98%, Z1255438414, 1,2,4-Trihydroxybenzene, Hydroxyhydroquinone, Hydroxyhydroquinone, HQN |
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| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.3 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14902, P00918, P00915, Q2KJ64 |
| Iupac Name | benzene-1,2,4-triol |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C6H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGNQRNBDZQJCCN-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -0.029 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.507 |
| Compound Name | 1,2,4-Benzenetriol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 126.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.915321533333333 |
| Inchi | InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H |
| Smiles | C1=CC(=C(C=C1O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all