2',3',4'-Trimethoxyacetophenone
PubChem CID: 83810
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| Compound Synonyms | 13909-73-4, 2',3',4'-Trimethoxyacetophenone, 1-(2,3,4-Trimethoxyphenyl)ethanone, 2,3,4-Trimethoxyacetophenone, Ethanone, 1-(2,3,4-trimethoxyphenyl)-, 2-3-4-Trimethxoyacetophenone, EINECS 237-678-4, F3JC7ZP11A, NSC 68811, Methyl 2,3,4-trimethoxyphenyl ketone, AI3-10562, 2',3',4' Trimethoxyacetophenone, MFCD00008726, NSC-68811, DTXSID7022257, TRI-O-METHYLGALLACETOPHENONE, ACETOPHENONE, 2',3',4'-TRIMETHOXY-, UNII-F3JC7ZP11A, Ethanone,1-(2,3,4-trimethoxyphenyl)-, NSC68811, 1-[2,3,4-tris(methyloxy)phenyl]ethanone, DTXCID902257, SCHEMBL1421887, 2',3', 4'-trimethoxyacetophenone, CS-M2300, BBL013475, STL166135, AKOS005364962, 1-(2,3,4-Trimethoxy-phenyl)-ethanone, 1-(2,3,4-Trimethoxyphenyl)ethanone #, 2 inverted exclamation mark ,3 inverted exclamation mark ,4 inverted exclamation mark -trimethoxyacetophenone, 2',3',4'-Trimethoxyacetophenone, 96%, AC-10541, DS-17908, SY051061, DS-019665, NS00024498, T1517, Q27277586, 237-678-4 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,3,4-trimethoxyphenyl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C11H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PKNAATJMQOUREZ-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.112 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.327 |
| Compound Name | 2',3',4'-Trimethoxyacetophenone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 210.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2023197999999997 |
| Inchi | InChI=1S/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H3 |
| Smiles | CC(=O)C1=C(C(=C(C=C1)OC)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients