2',4'-Dimethoxypropiophenone
PubChem CID: 70020
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| Compound Synonyms | 2',4'-Dimethoxypropiophenone, 831-00-5, 1-(2,4-dimethoxyphenyl)propan-1-one, Propiophenone, 2',4'-dimethoxy-, 1-Propanone, 1-(2,4-dimethoxyphenyl)-, 1-(2,4-Dimethoxyphenyl)-1-propanone, EINECS 212-601-7, DTXSID00232167, NSC 34097, NSC-34097, 2'.4'-Dimethoxypropiophenone, NSC34097, Maybridge4_000442, 9EYJ6T4Z7D, SCHEMBL4653380, DTXCID00154658, CHEBI:167433, 2'4'-Dimethoxypropiophenone 97, HMS1522E02, CCG-43153, MFCD00027012, 2',4'-Dimethoxypropiophenone, 97%, AKOS000296109, IDI1_031024, NCGC00177575-01, 1-(2,4-Dimethoxyphenyl)-1-propanone #, BS-22832, 2' 4'-DIMETHOXYPROPIOPHENONE 97, Propan-1-one, 1-(2,4-dimethoxyphenyl)-, CS-0204890, NS00038238, N12069, SR-01000633098-1, BRD-K60578973-001-01-8, 212-601-7 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,4-dimethoxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C11H14O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MIAQBCIDZSELDU-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -3.135 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.482 |
| Compound Name | 2',4'-Dimethoxypropiophenone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 194.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 194.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3699688571428568 |
| Inchi | InChI=1S/C11H14O3/c1-4-10(12)9-6-5-8(13-2)7-11(9)14-3/h5-7H,4H2,1-3H3 |
| Smiles | CCC(=O)C1=C(C=C(C=C1)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients