Cas no 3586-86-5 (2,3,4,4a,9a,10-hexahydro-1h-anthracen-9-one)
3586-86-5 structure
Product Name:2,3,4,4a,9a,10-hexahydro-1h-anthracen-9-one
2,3,4,4a,9a,10-hexahydro-1h-anthracen-9-one Chemical and Physical Properties
Names and Identifiers
-
- 2,3,4,4a,9a,10-hexahydro-1h-anthracen-9-one
- (+-)-9-Oxo-trans-1.2.3.4.4a.9.9a.10-octahydro-anthracen
- (+-)-9-oxo-trans-1.2.3.4.4a.9.9a.10-octahydro-anthracene
- 6,7,8,8a,10,10a-hexahydro-5H-anthracen-9-one
- AC1L7WNH
- CTK1C6660
- NSC251074
- trans-1,2,3,4,4a,9,9a,10-Octahydroanthracen-9-on
- trans-1,2,3,4,4a,9a-hexahydro-9-(10H)-anthracenone
- trans-1,2,3,4,4a,9a-hexahydro-9(10H)-antracenone
- 9-keto-1,2,3,4,4a,9,9a,10-octahydroanthracene
- SCHEMBL12998132
- NSC-251074
- DS-005823
- 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one
- DTXSID50312201
- 3586-86-5
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- Inchi: 1S/C14H16O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1,3,5,7,11,13H,2,4,6,8-9H2
- InChI Key: QOTCSCVHPPXXQB-UHFFFAOYSA-N
- SMILES: O=C1C2C=CC=CC=2CC2CCCCC21
Computed Properties
- Exact Mass: 200.12018
- Monoisotopic Mass: 200.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 258
- 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: 3.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,3,4,4a,9a,10-hexahydro-1h-anthracen-9-one Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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
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