1,3-Dioxan-5-ol
PubChem CID: 78475
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| Compound Synonyms | 1,3-Dioxan-5-ol, 4740-78-7, 5-Hydroxy-1,3-dioxane, 86687-05-0, 1,3-Formalglycerol, m-Dioxan-5-ol, Glycerol formal, alpha,alpha', UNII-F6UP32GBII, F6UP32GBII, 5-Hydroxy-m-dioxane, EINECS 225-248-9, DTXSID20197128, GLYCEROL FORMAL, .ALPHA.,.ALPHA', Glycerol formal (=1,3-dioxan-5-ol), alpha,.alpha'glycerol formal, SCHEMBL337298, DTXCID30119619, BBL011466, MFCD00014645, STL146578, AKOS005720978, FG31104, GLYCEROL FORMAL, ALPHA,.ALPHA', DS-18121, SY039164, G0391, NS00031684, 4-Hydroxyethyl-1,3-dioxlane, 5-Hydroxy-1,3-dioxane, Q27277728, 1,3-Dioxan-5-ol, m-Dioxan-5-ol, 1,3-Formalglycerol, 5-Hydroxy-1,3-dioxane, 5-Hydroxy-m-dioxane, Glycerol formal |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dioxan-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | -0.8 |
| Molecular Formula | C4H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VCKSNYNNVSOWEE-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.77 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.612 |
| Compound Name | 1,3-Dioxan-5-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 104.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 104.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.031149000000000093 |
| Inchi | InChI=1S/C4H8O3/c5-4-1-6-3-7-2-4/h4-5H,1-3H2 |
| Smiles | C1C(COCO1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients