(E)-2-methylbut-2-enoate
PubChem CID: 6971144
Connections displayed (default: 10).
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| Compound Synonyms | (E)-2-methylbut-2-enoate |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 97.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-2-methylbut-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C5H7O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | UIERETOOQGIECD-ONEGZZNKSA-M |
| Fcsp3 | 0.4 |
| Logs | 0.442 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.472 |
| Compound Name | (E)-2-methylbut-2-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 99.0446 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 99.0446 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 99.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.9886758 |
| Inchi | InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/p-1/b4-3+ |
| Smiles | C/C=C(\C)/C(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Schoenoprasum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Croton Tiglium (Plant) Rel Props:Source_db:cmaup_ingredients