Cas no 50861-53-5 (Grandifloron)
Grandifloron structure
Product Name:Grandifloron
CAS No:50861-53-5
MF:C19H22O4
MW:314.375586032867
CID:2013187
PubChem ID:70584010
Update Time:2025-04-21
Grandifloron Chemical and Physical Properties
Names and Identifiers
-
- Grandifloron
- Grandiflorone
- 2,2,4,4-Tetramethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione
- HDCYLHJYUHYIQL-UHFFFAOYSA-N
- CHEMBL4062499
- 2,2,4,4-Tetramethyl-6-(3-phenylpropanoyl)cyclohexane-1,3,5-trione
- 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(1-oxo-3-phenylpropyl)-
- SCHEMBL11427483
- DB-260217
- 50861-53-5
- Champanone E
- BDBM50264338
-
- Inchi： 1S/C19H22O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-9,21H,10-11H2,1-4H3
- InChI Key： KUWGTESSHWPSOB-UHFFFAOYSA-N
- SMILES： O=C(CCC1C=CC=CC=1)C1C(=O)C(C)(C)C(=O)C(C)(C)C=1O
Computed Properties
- Exact Mass: 314.152
- Monoisotopic Mass: 314.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 506
- 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: 68.3A^2
- XLogP3: 2.905
Grandifloron Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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