5-Acetyl-2-methoxybenzaldehyde
PubChem CID: 288758
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| Compound Synonyms | 5-Acetyl-2-methoxybenzaldehyde, 531-99-7, 3-Acetyl-6-methoxybenzaldehyde, 5-Acetyl-2-methoxybenzaldehyd, o-Anisaldehyde, 5-acetyl-, Benzaldehyde, 5-acetyl-2-methoxy-, NSC-150092, UNII-PKZ321UNPK, PKZ321UNPK, 5-Acetyl-2-methoxybenzaldehyde [MI], C10667, AC1Q5EE8, MFCD19301502, SCHEMBL1706804, 5-acetyl-2-methoxy-benzaldehyde, DTXSID90302303, NSC150092, DB-129231, CS-0196281, E91839, Q4634113 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 200.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-acetyl-2-methoxybenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C10H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WGQVKYPDHREEJU-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.62 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.306 |
| Compound Name | 5-Acetyl-2-methoxybenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 178.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1088978615384613 |
| Inchi | InChI=1S/C10H10O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-6H,1-2H3 |
| Smiles | CC(=O)C1=CC(=C(C=C1)OC)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myroxylon Pereirae (Plant) Rel Props:Source_db:cmaup_ingredients