Cas no 13383-63-6 (Ethanone,1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-)
13383-63-6 structure
Product Name:Ethanone,1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-
CAS No:13383-63-6
MF:C10H12O4
MW:196.199883460999
CID:229816
PubChem ID:83393
Update Time:2025-04-19
Ethanone,1-(2,4,6-trihydroxy-3,5-dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-
- 1-(2,4,6-trihydroxy-3,5-dimethylphenyl)ethan-1-one
- 1-(2,4,6-trihydroxy-3,5-dimethylphenyl)ethanone
- Einecs 236-459-0
- 2,4,6-Trihydroxy-3,5-Dimethylacetiphenone
- 2,4,6-Trihydroxy-3,5-dimethylacetophenone
- DTXSID20158390
- 13383-63-6
- NS00024312
- SCHEMBL10607894
-
- Inchi： 1S/C10H12O4/c1-4-8(12)5(2)10(14)7(6(3)11)9(4)13/h12-14H,1-3H3
- InChI Key： GIMGGNBXMNVHHR-UHFFFAOYSA-N
- SMILES： OC1C(C)=C(C(C(C)=O)=C(C=1C)O)O
Computed Properties
- Exact Mass: 196.07356
- Monoisotopic Mass: 196.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.8A^2
- XLogP3: 1.8
Experimental Properties
- Density: 1.318
- Boiling Point: 355.5°Cat760mmHg
- Flash Point: 183°C
- Refractive Index: 1.609
- PSA: 77.76
Ethanone,1-(2,4,6-trihydroxy-3,5-dimethylphenyl)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
13383-63-6 (Ethanone,1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-) Related Products
- 1470-79-7(2,4,4'-Trihydroxybenzophenone)
- 528-21-2(2,3,4-Trihydroxyacetophenone)
- 6921-64-8(1-(2-Hydroxy-4-methylphenyl)ethanone)
- 89-84-9(2',4'-Dihydroxyacetophenone)
- 490-78-8(2',5'-Dihydroxyacetophenone)
- 699-83-2(2',6'-Dihydroxyacetophenone)
- 480-66-0(Phloracetophenone)
- 117-99-7(2-Hydroxyphenone)
- 131-56-6(2,4-Dihydroxybenzophenone)
- 574-19-6(2'-Hydroxy-1'-acetonaphthone)
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