ethyl (2Z)-2-hydroxyimino-3-pyrimidin-4-ylpropanoate
PubChem CID: 9552087
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| Compound Synonyms | NSC88413, 90559-55-0, NSC-88413 |
|---|---|
| Topological Polar Surface Area | 84.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 243.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl (2Z)-2-hydroxyimino-3-pyrimidin-4-ylpropanoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C9H11N3O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DTOCWZKRROVNGQ-WQLSENKSSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.355 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.258 |
| Compound Name | ethyl (2Z)-2-hydroxyimino-3-pyrimidin-4-ylpropanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 209.08 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 209.08 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 209.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.783471 |
| Inchi | InChI=1S/C9H11N3O3/c1-2-15-9(13)8(12-14)5-7-3-4-10-6-11-7/h3-4,6,14H,2,5H2,1H3/b12-8- |
| Smiles | CCOC(=O)/C(=N\O)/CC1=NC=NC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Embelia Ribes (Plant) Rel Props:Source_db:cmaup_ingredients