Cas no 57857-65-5 (1,3-Cyclohexanedione, 2-(3-oxo-3-phenylpropyl)-)
57857-65-5 structure
Product Name:1,3-Cyclohexanedione, 2-(3-oxo-3-phenylpropyl)-
CAS No:57857-65-5
MF:C15H16O3
MW:244.285744667053
CID:1607035
PubChem ID:12233963
Update Time:2025-04-21
1,3-Cyclohexanedione, 2-(3-oxo-3-phenylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione, 2-(3-oxo-3-phenylpropyl)-
- 2-(3-oxo-3-phenylpropyl)cyclohexane-1,3-dione
- 57857-65-5
- DTXSID10481649
-
- Inchi： 1S/C15H16O3/c16-13(11-5-2-1-3-6-11)10-9-12-14(17)7-4-8-15(12)18/h1-3,5-6,12H,4,7-10H2
- InChI Key： TVSXYTNIXYFJSF-UHFFFAOYSA-N
- SMILES： O=C1CCCC(C1CCC(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 244.10998
- Monoisotopic Mass: 244.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 324
- 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: 1.7
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- PSA: 51.21
1,3-Cyclohexanedione, 2-(3-oxo-3-phenylpropyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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