Cas no 61518-58-9 (1,7-Heptanedione, 4-benzoyl-2,6-dimethyl-1,7-diphenyl-)
61518-58-9 structure
Product Name:1,7-Heptanedione, 4-benzoyl-2,6-dimethyl-1,7-diphenyl-
CAS No:61518-58-9
MF:C28H28O3
MW:412.520128250122
CID:476430
PubChem ID:71395024
Update Time:2025-04-19
1,7-Heptanedione, 4-benzoyl-2,6-dimethyl-1,7-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,7-Heptanedione, 4-benzoyl-2,6-dimethyl-1,7-diphenyl-
- 4-benzoyl-2,6-dimethyl-1,7-diphenylheptane-1,7-dione
- 61518-58-9
- DTXSID40816687
-
- Inchi： 1S/C28H28O3/c1-20(26(29)22-12-6-3-7-13-22)18-25(28(31)24-16-10-5-11-17-24)19-21(2)27(30)23-14-8-4-9-15-23/h3-17,20-21,25H,18-19H2,1-2H3
- InChI Key： FXABKBJEGVVUTG-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C(CC(C(C1C=CC=CC=1)=O)C)CC(C(C1C=CC=CC=1)=O)C
Computed Properties
- Exact Mass: 412.20394
- Monoisotopic Mass: 412.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 31
- Rotatable Bond Count: 10
- Complexity: 553
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.1
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- PSA: 51.21
1,7-Heptanedione, 4-benzoyl-2,6-dimethyl-1,7-diphenyl- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
61518-58-9 (1,7-Heptanedione, 4-benzoyl-2,6-dimethyl-1,7-diphenyl-) Related Products
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- 495-71-6(1,2-Dibenzoylethane)
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