Cas no 81916-09-8 (Palutropone)
Palutropone structure
Product Name:Palutropone
CAS No:81916-09-8
MF:C12H12O
MW:172.223083496094
CID:732520
Update Time:2024-03-01
Palutropone Chemical and Physical Properties
Names and Identifiers
-
- 6H-Benzocyclohepten-6-one,1,2-dihydro-4-methyl-
- 1,2-Dihydro-4-methyl-6H-benzocyclohepten-6-one
- Palutropone
- CID 101643004
-
- Inchi: 1S/C12H12O/c1-9-4-2-5-10-6-3-7-11(13)8-12(9)10/h3-4,6-8H,2,5H2,1H3
- InChI Key: BNCIJFGWLKTTGA-UHFFFAOYSA-N
- SMILES: O=C1C=CC=C2C(=C1)C(C)=CCC2
Computed Properties
- Exact Mass: 172.089
- Monoisotopic Mass: 172.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 365
- 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: 17.1
- XLogP3: 2.465
Palutropone Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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