Gallacetophenone
PubChem CID: 10706
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| Compound Synonyms | Gallacetophenone, 528-21-2, 1-(2,3,4-Trihydroxyphenyl)ethanone, 2',3',4'-TRIHYDROXYACETOPHENONE, 2,3,4-Trihydroxyacetophenone, Galloacetophenone, Alizarin Yellow C, Alizarine Yellow C, Ethanone, 1-(2,3,4-trihydroxyphenyl)-, 4-Acetylpyrogallol, C.I. 57000, NSC 66553, Acetophenone, 2',3',4'-trihydroxy-, 2,3,4-Trihydroxyacetophenone oxime, EINECS 208-430-2, MFCD00002193, C70E921C4P, NSC-66553, GALLACETOPHENONE [MI], 1-(2,3,4-Trihydroxyphenyl)ethan-1-one, CHEMBL242540, DTXSID2060179, 1-(2,3,4-trihydroxy-phenyl)-ethanone, Gallacetophenon, UNII-C70E921C4P, Acetophenone, 2,3,4-trihydroxy-, Gallacetophenone, 97%, 2,4-Trihydroxyacetophenone, WLN: QR BQ CQ DV1, SCHEMBL105704, DTXCID3041297, 2,4-Trihydroxyacetophenone oxime, Acetophenone,3',4'-trihydroxy-, Ethanone,3,4-trihydroxyphenyl)-, CHEBI:193439, ALBB-015601, NSC66553, Acetophenone, 2,3,4-trihydroxy-,, 2', 3', 4'-trihydroxyacetophenone, BBL027373, BDBM50234652, STK519460, AKOS002214745, 2'',3'',4''-Trihydroxyacetophenone, BS-3913, FT67476, BP-12555, SY048565, CS-0155152, NS00021192, T1198, 2\',3\',4\'-TRIHYDROXYACETOPHENONE, EN300-203349, Q5518813, Z57124116, 2 inverted exclamation mark ,3 inverted exclamation mark ,4 inverted exclamation mark -Trihydroxyacetophenone, 208-430-2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CC=O)cccccc6O))O))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,3,4-trihydroxyphenyl)ethanone |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H8O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | XIROXSOOOAZHLL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-hydroxy-3',4'-dihydroxyacetophenone |
| Esol Class | Very soluble |
| Functional Groups | cC(C)=O, cO |
| Compound Name | Gallacetophenone |
| Exact Mass | 168.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 168.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H3 |
| Smiles | CC(=O)C1=C(C(=C(C=C1)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279