Resorcinol, 5-methyl-, monohydrate
PubChem CID: 3083941
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| Compound Synonyms | 6153-39-5, 5-methylbenzene-1,3-diol hydrate, Orcinol monohydrate, 3,5-DIHYDROXYTOLUENE MONOHYDRATE, 5-Methylresorcinol monohydrate, 1,3-Benzenediol, 5-methyl-, monohydrate, Resorcinol, 5-methyl-, monohydrate, MFCD00149092, 5-methylbenzene-1,3-diol, hydrate, DTXSID60210522, Orcinol Monohydrate, , orcinol hydrate, 5-Methylbenzene-1,3-diolhydrate, Orcinol:H2O, 5-methylresorcinol hydrate, 5Methylresorcinol monohydrate, SCHEMBL236740, 3,5Dihydroxytoluene monohydrate, 5-methylbenzene-1,3-diol H2O, Resorcinol, 5methyl, monohydrate, DTXCID90133013, Orcinol monohydrate, p.a., 99.0%, AKOS016010403, CS-W016431, HY-W015715, AS-50233, DB-053919, O11472, Orcinol monohydratecolorimetric detection reagent, Orcinol monohydrate, colorimetric detection reagent, doi:10.14272/NBKPNAMTHBIMLA-UHFFFAOYSA-N.1, 5-Methylresorcinol, 5-Methyl-1,3-benzenediol, 3,5-Dihydroxytoluene |
|---|---|
| Topological Polar Surface Area | 41.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 82.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methylbenzene-1,3-diol, hydrate |
| Prediction Hob | 1.0 |
| Molecular Formula | C7H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NBKPNAMTHBIMLA-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | 0.041 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.694 |
| Compound Name | Resorcinol, 5-methyl-, monohydrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 142.15 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8583547999999999 |
| Inchi | InChI=1S/C7H8O2.H2O/c1-5-2-6(8)4-7(9)3-5, /h2-4,8-9H,1H3, 1H2 |
| Smiles | CC1=CC(=CC(=C1)O)O.O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erica Arborea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gymnadenia Albida (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rumex Patientia (Plant) Rel Props:Source_db:cmaup_ingredients