Cas no 55846-72-5 (1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-phenyl-)
![1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-phenyl- structure](https://ossimg.kuujia.com/scimg/56000/55846-72-5x500.png)
55846-72-5 structure
Product Name:1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-phenyl-
CAS No:55846-72-5
MF:C19H20O2
MW:280.360905647278
CID:350499
PubChem ID:9838608
Update Time:2025-04-19
1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-phenyl-
- 1-(4-tert-butylphenyl)-3-phenylpropane-1,3-dione
- DTXSID30431646
- SCHEMBL268855
- FT-0750333
- 55846-72-5
-
- Inchi： 1S/C19H20O2/c1-19(2,3)16-11-9-15(10-12-16)18(21)13-17(20)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
- InChI Key： QBBWRDHCVMNONP-UHFFFAOYSA-N
- SMILES： O=C(CC(C1C=CC=CC=1)=O)C1C=CC(=CC=1)C(C)(C)C
Computed Properties
- Exact Mass: 280.1464
- Monoisotopic Mass: 280.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 364
- 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
- XLogP3: 4.8
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-phenyl- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
55846-72-5 (1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-phenyl-) Related Products
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- 120-46-7(Dibenzoylmethane)
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- 942-92-7(Caprophenone)
- 1083-30-3(3-Phenylpropiophenone)
- 1009-14-9(Valerophenone)
- 1671-77-8(4’-Methylvalerophenone)
- 495-40-9(N-Butyrophenone)
- 495-71-6(1,2-Dibenzoylethane)
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