2-Butenoic acid
PubChem CID: 53399155
Connections displayed (default: 10).
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| Compound Synonyms | 2-butenoic acid, formic acid, but-2-enoic acid, methanoic acid, A802157 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | QLVHOWOIOBVGPO-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Compound Name | 2-Butenoic acid, formic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.042 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 83.9 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 132.11 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 2.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | but-2-enoic acid, formic acid |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 1.0 |
| Esol | -0.9207129999999999 |
| Inchi | InChI=1S/C4H6O2.CH2O2/c1-2-3-4(5)6, 2-1-3/h2-3H,1H3,(H,5,6), 1H,(H,2,3) |
| Smiles | CC=CC(=O)O.C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C5H8O4 |
- 1. Outgoing r'ship
FOUND_INto/from Ampelopsis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lonicera Fulvotomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Pyrrosia Lingua (Plant) Rel Props:Source_db:cmaup_ingredients