1,1-Dihydroxypropan-2-one
PubChem CID: 13180982
Connections displayed (default: 10).
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| Compound Synonyms | 1,1-dihydroxypropan-2-one, 1186-47-6, METHYLGLYOXAL HYDRATE, 1,1-dihydroxyacetone, dioxyaceton, UOQFZGVGGMHGEE-UHFFFAOYSA-N, AKOS015995422 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 57.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dihydroxypropan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -1.3 |
| Molecular Formula | C3H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UOQFZGVGGMHGEE-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.395 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.413 |
| Compound Name | 1,1-Dihydroxypropan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 90.0317 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 90.0317 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 90.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.46131640000000024 |
| Inchi | InChI=1S/C3H6O3/c1-2(4)3(5)6/h3,5-6H,1H3 |
| Smiles | CC(=O)C(O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients