Methanol peroxide
PubChem CID: 18953726
Connections displayed (default: 10).
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| Compound Synonyms | methanol peroxide |
|---|---|
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 4.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 22.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dioxiran-3-ol |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Is Pains | False |
| Molecular Formula | CH2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CVTVRXGPXQVJAU-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Methanol peroxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 62.0004 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 62.0004 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 62.025 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.10305120000000006 |
| Inchi | InChI=1S/CH2O3/c2-1-3-4-1/h1-2H |
| Smiles | C1(OO1)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients