1,3-Dioxolane
PubChem CID: 12586
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| Compound Synonyms | 1,3-DIOXOLANE, 646-06-0, DIOXOLANE, Glycolformal, Formal glycol, 1,3-Dioxacyclopentane, 1,3-Dioxolan, Dioxolan, 1,3-Dioxolane, Stabilized, Glycol formal, Ethylene glycol formal, Glycol methylene ether, Dioxolan [Czech], 1,3-Dioxole, dihydro-, 1,3-Dioxlane, Dioxolane, 1,3-, 5-Crown-2, CCRIS 4912, HSDB 5737, UNII-Y57RBG19JL, EINECS 211-463-5, 1,3-Dioxolane (stabilized with BHT), DTXSID4027284, CHEBI:87597, ELCOTAL DX, Y57RBG19JL, DTXCID107284, 1,3-DIOXOLANE [HSDB], EC 211-463-5, 1,3-dioxalane, MFCD00003207, UN1166, Formaldehyde ethylene acetal, Ethylene glycol methylene ether, 1,3 dioxolane, 1,3Dioxolan, 1,4-dioxolane, [1,3]dioxolane, [1,3]-dioxolane, 1,3Dioxacyclopentane, dihydro-1,3-dioxole, 1,3Dioxole, dihydro, Ethylene glycol, formal, DIOXOLANE [INCI], CHEMBL3187281, CHEBI:39430, 1,3-Dioxolane, >=99.5%, Tox21_300693, AKOS015856096, FD54839, NCGC00248143-01, NCGC00254601-01, CAS-646-06-0, Dioxolane [UN1166] [Flammable liquid], D0861, D5539, NS00004542, 1,3-Dioxolane 100 microg/mL in Acetonitrile, 1,3-Dioxolane, Ethylene glycol methylene ether, D89731, A834826, Q2234483, 1,3-Dioxlane, 99.5%, contains ~75 ppm BHT as stabilizer, 1,3-Dioxacyclopentane,Anhydrous, Contains ~ 75 ppm BHT as inhibitor., 1,3-Dioxolane, anhydrous, contains ~75 ppm BHT as inhibitor, 99.8%, 1,3-Dioxolane, ReagentPlus(R), contains ~75 ppm BHT as inhibitor, 99%, 1,3-Dioxlane, 99.8%,with molecular sieves, stabilized with BHT, Water</=50 ppm (by K.F.), MkSeal, 25067-64-5 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 24.1 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dioxolane |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C3H6O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WNXJIVFYUVYPPR-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.912 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.353 |
| Compound Name | 1,3-Dioxolane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 74.0368 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 74.0368 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 74.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.06618979999999997 |
| Inchi | InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2 |
| Smiles | C1COCO1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leibnitzia Anandria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all