Cas no 77054-16-1 (1,3-Cyclohexanedione,5-phenyl-2-(2-phenylacetyl)-)
77054-16-1 structure
Product Name:1,3-Cyclohexanedione,5-phenyl-2-(2-phenylacetyl)-
CAS No:77054-16-1
MF:C20H18O3
MW:306.355125904083
CID:576788
PubChem ID:3059716
Update Time:2025-04-19
1,3-Cyclohexanedione,5-phenyl-2-(2-phenylacetyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione,5-phenyl-2-(2-phenylacetyl)-
- 5-phenyl-2-(2-phenylacetyl)cyclohexane-1,3-dione
- 1,3-Cyclohexanedione, 5-phenyl-2-(phenylacetyl)-
- 77054-16-1
- SCHEMBL11161272
- 5-Phenyl-2-(phenylacetyl)-1,3-cyclohexanedione
- DTXSID00998337
- 5-Phenyl-2-(phenylacetyl)cyclohexane-1,3-dione
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- Inchi： 1S/C20H18O3/c21-17(11-14-7-3-1-4-8-14)20-18(22)12-16(13-19(20)23)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2
- InChI Key： KYDUFZZSUUSMLF-UHFFFAOYSA-N
- SMILES： O=C1C(C(CC2C=CC=CC=2)=O)C(CC(C2C=CC=CC=2)C1)=O
Computed Properties
- Exact Mass: 306.126
- Monoisotopic Mass: 306.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 438
- 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: 2.9
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- Density: 1.198
- Boiling Point: 505.3°C at 760 mmHg
- Flash Point: 219.3°C
- Refractive Index: 1.588
1,3-Cyclohexanedione,5-phenyl-2-(2-phenylacetyl)- Related Literature
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
77054-16-1 (1,3-Cyclohexanedione,5-phenyl-2-(2-phenylacetyl)-) Related Products
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