Cas no 109839-21-6 (3-phenylhexane-2,4-dione)
3-phenylhexane-2,4-dione structure
Product Name:3-phenylhexane-2,4-dione
CAS No:109839-21-6
MF:C12H14O2
MW:190.238363742828
CID:1189271
PubChem ID:13863056
Update Time:2025-04-20
3-phenylhexane-2,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 3-phenylhexane-2,4-dione
- CTK0G2302
- 2,4-Hexanedione, 3-phenyl-
- ACMC-20mcma
- 3-Phenyl-hexan-2,4-dion
- AGN-PC-00O9NJ
- SureCN11816937
- 3-phenyl-hexane-2,4-dione
- 3-phenyl-2,4-hexanedione
- CTK0G2302; 2,4-Hexanedione, 3-phenyl-; ACMC-20mcma; 3-Phenyl-hexan-2,4-dion; AGN-PC-00O9NJ; SureCN11816937; 3-phenyl-hexane-2,4-dione; 3-phenyl-2,4-hexanedione;
- DTXSID10551432
- 109839-21-6
- SCHEMBL11816937
-
- Inchi： 1S/C12H14O2/c1-3-11(14)12(9(2)13)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3
- InChI Key： FVNJJMOXIJNIOM-UHFFFAOYSA-N
- SMILES： O=C(CC)C(C(C)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 190.099379685g/mol
- Monoisotopic Mass: 190.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14000
- LogP: 2.33830
3-phenylhexane-2,4-dione Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
109839-21-6 (3-phenylhexane-2,4-dione) Related Products
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