Cas no 61538-08-7 (1,7-Heptanedione, 4-benzoyl-1,7-diphenyl-)
61538-08-7 structure
Product Name:1,7-Heptanedione, 4-benzoyl-1,7-diphenyl-
CAS No:61538-08-7
MF:C26H24O3
MW:384.466967582703
CID:475836
PubChem ID:71394855
Update Time:2025-04-19
1,7-Heptanedione, 4-benzoyl-1,7-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,7-Heptanedione, 4-benzoyl-1,7-diphenyl-
- 4-benzoyl-1,7-diphenylheptane-1,7-dione
- DTXSID20816524
- 61538-08-7
-
- Inchi： 1S/C26H24O3/c27-24(20-10-4-1-5-11-20)18-16-23(26(29)22-14-8-3-9-15-22)17-19-25(28)21-12-6-2-7-13-21/h1-15,23H,16-19H2
- InChI Key： CYTXHEAGFPRPOP-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C(CCC(C1C=CC=CC=1)=O)CCC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 384.17262
- Monoisotopic Mass: 384.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 29
- Rotatable Bond Count: 10
- Complexity: 500
- 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: 4.9
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- PSA: 51.21
1,7-Heptanedione, 4-benzoyl-1,7-diphenyl- Related Literature
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
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
61538-08-7 (1,7-Heptanedione, 4-benzoyl-1,7-diphenyl-) Related Products
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