4,5-Dihydroxybenzene-1,3-disulfonate
PubChem CID: 1549062
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| Compound Synonyms | 4,5-dihydroxybenzene-1,3-disulfonate, Dihydroxy benzene disulfonate disodium salt, Disodium 1,2-dihydroxybenzene-3,5-disulfonate, 4,5-dihydroxy-m-benzenedisulfonic acid, 3,5-disulfocatechol, 1,2-dihydroxybenzenedisulfonate, 4,5-dihydroxy-m-benzenedisulfonate, BBL002860, STK377890, 1,2-dihydroxy-3,5-benzenedisulfonate, AKOS005449176, 1,2-dihydroxybenzene-3,5-disulfonic acid, 1,3-benzenedisulfonic acid, 4,5-dihydroxy, AG-690/33376061 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 172.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | XXAXVMUWHZHZMJ-UHFFFAOYSA-L |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Compound Name | 4,5-Dihydroxybenzene-1,3-disulfonate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 267.935 |
| Formal Charge | -2.0 |
| Monoisotopic Mass | 267.935 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 268.2 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dihydroxybenzene-1,3-disulfonate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -1.1822888 |
| Inchi | InChI=1S/C6H6O8S2/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h1-2,7-8H,(H,9,10,11)(H,12,13,14)/p-2 |
| Smiles | C1=C(C=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-] |
| Xlogp | -0.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C6H4O8S2-2 |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients