Oxalic acid-13C2 dihydrate
PubChem CID: 16213469
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| Compound Synonyms | Oxalic acid-13C2 dihydrate, 286367-59-7, oxalic acid, dihydrate, Oxalic acid(1,2-13c2), DTXSID50583974, (~13~C_2_)Ethanedioic acid--water (1/2), Oxalic acid-13C2 dihydrate, 99 atom % 13C, 685-846-4 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 76.6 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | GEVPUGOOGXGPIO-BQTCFENJSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Compound Name | Oxalic acid-13C2 dihydrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.023 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.023 |
| Isotope Atom Count | 2.0 |
| Molecular Complexity | 71.5 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 128.05 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 3.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oxalic acid, dihydrate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | 0.18809799998400029 |
| Inchi | InChI=1S/C2H2O4.2H2O/c3-1(4)2(5)6, , /h(H,3,4)(H,5,6), 2*1H2/i1+1,2+1, , |
| Smiles | [13C](=O)([13C](=O)O)O.O.O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C2H6O6 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cichorium Glandulosum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Persicaria Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients