2-Prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carbaldehyde
PubChem CID: 10330103
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C12H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MPEXJCQZHBHGMC-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.512 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.647 |
| Compound Name | 2-Prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 188.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8868440571428566 |
| Inchi | InChI=1S/C12H12O2/c1-8(2)12-6-10-5-9(7-13)3-4-11(10)14-12/h3-5,7,12H,1,6H2,2H3 |
| Smiles | CC(=C)C1CC2=C(O1)C=CC(=C2)C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Haplophyllum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients