m-Ethylbenzaldehyde
PubChem CID: 118623
Connections displayed (default: 10).
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| Compound Synonyms | 3-Ethylbenzaldehyde, 34246-54-3, m-Ethylbenzaldehyde, Benzaldehyde, 3-ethyl-, EINECS 251-896-7, MFCD09263482, DTXSID90187819, 3-Ethyl-benzaldehyde, SCHEMBL291613, DTXCID00110310, CHEBI:229392, BCP06175, CL8323, AKOS006331230, CS-W006593, DS-17925, SY113403, NS00029629, EN300-96750, Z1198218859, 251-896-7 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 109.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethylbenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C9H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LLYXUFQXCNIGDG-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.705 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.393 |
| Compound Name | m-Ethylbenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 134.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3825035999999997 |
| Inchi | InChI=1S/C9H10O/c1-2-8-4-3-5-9(6-8)7-10/h3-7H,2H2,1H3 |
| Smiles | CCC1=CC(=CC=C1)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients