Octanedioic acid-carboxy-14C
PubChem CID: 10035160
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| Compound Synonyms | Octanedioic acid-carboxy-14C, (1,8-14C2)octanedioic acid, 115918-63-3 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 2.0 |
| Molecular Complexity | 135.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1,8-14C2)octanedioic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C8H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | TYFQFVWCELRYAO-SHGRYJKJSA-N |
| Fcsp3 | 0.75 |
| Logs | -3.429 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.646 |
| Compound Name | Octanedioic acid-carboxy-14C |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 178.096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.096 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 178.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1316190006759996 |
| Inchi | InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/i7+2,8+2 |
| Smiles | C(CCC[14C](=O)O)CC[14C](=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hibiscus Syriacus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients