Cas no 41918-19-8 (2-(1-Oxo-3-phenylpropyl)-1,3-cyclohexanedione)
41918-19-8 structure
Product Name:2-(1-Oxo-3-phenylpropyl)-1,3-cyclohexanedione
CAS No:41918-19-8
MF:C15H16O3
MW:244.285744667053
CID:6645738
Update Time:2024-03-01
2-(1-Oxo-3-phenylpropyl)-1,3-cyclohexanedione Chemical and Physical Properties
Names and Identifiers
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- 2-(1-Oxo-3-phenylpropyl)-1,3-cyclohexanedione
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- Inchi： 1S/C15H16O3/c16-12-7-4-8-13(17)15(12)14(18)10-9-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2
- InChI Key： ZUQGGYYTTZREMA-UHFFFAOYSA-N
- SMILES： O=C(C1C(=O)CCCC1=O)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 244.11
- Monoisotopic Mass: 244.11
- 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
- Topological Polar Surface Area: 51.2A^2
2-(1-Oxo-3-phenylpropyl)-1,3-cyclohexanedione Related Literature
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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