Ketohypoglycin
PubChem CID: 193412
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| Compound Synonyms | Ketohypoglycin, 5746-24-7, 3-(2-methylidenecyclopropyl)-2-oxopropanoic acid, Methylenecyclopropylpyruvate, 2-Methylene-alpha-oxocyclopropanepropanoic acid, methylenecyclopropylpyruvic acid, CHEBI:133390, 3-(methylenecyclopropyl)pyruvic acid, beta-(methylenecyclopropyl)pyruvic acid, 3-(2-Methylenecyclopropyl)-2-oxopropanoic acid, starbld0003978, methylenecyclopropanepyruvic acid, SCHEMBL2535546, DTXSID40972939, AKOS040746951, HY-126718 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2-methylidenecyclopropyl)-2-oxopropanoic acid |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Is Pains | False |
| Molecular Formula | C7H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IKTGVEIOCJLOFU-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Ketohypoglycin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.047 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 140.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 140.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6116556 |
| Inchi | InChI=1S/C7H8O3/c1-4-2-5(4)3-6(8)7(9)10/h5H,1-3H2,(H,9,10) |
| Smiles | C=C1CC1CC(=O)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients