2-Propynal, 3-(2-thienyl)-
PubChem CID: 5321944
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| Compound Synonyms | 2-Propynal, 3-(2-thienyl)-, 13781-33-4, 3-(thiophen-2-yl)propiolaldehyde, SCHEMBL3834463, DTXSID10415787, AKOS006373708 |
|---|---|
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-thiophen-2-ylprop-2-ynal |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C7H4OS |
| Prediction Swissadme | 0.0 |
| Inchi Key | UAYNIWKGZIESFI-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.299 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.5 |
| Compound Name | 2-Propynal, 3-(2-thienyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 135.998 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 135.998 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 136.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.160096111111111 |
| Inchi | InChI=1S/C7H4OS/c8-5-1-3-7-4-2-6-9-7/h2,4-6H |
| Smiles | C1=CSC(=C1)C#CC=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Source_db:cmaup_ingredients