Cas no 133130-11-7 (1,2-Naphthalenedione, 5,6,7,8-tetrahydro-3-(1-methylethyl)- (9CI))
133130-11-7 structure
Product Name:1,2-Naphthalenedione, 5,6,7,8-tetrahydro-3-(1-methylethyl)- (9CI)
CAS No:133130-11-7
MF:C13H16O2
MW:204.264944076538
CID:1016916
PubChem ID:14828125
Update Time:2025-04-20
1,2-Naphthalenedione, 5,6,7,8-tetrahydro-3-(1-methylethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Naphthalenedione, 5,6,7,8-tetrahydro-3-(1-methylethyl)- (9CI)
- 133130-11-7
- 3-Isopropyl-5,6,7,8-tetrahydronaphthalene-1,2-dione
- CHEMBL45680
-
- Inchi： 1S/C13H16O2/c1-8(2)11-7-9-5-3-4-6-10(9)12(14)13(11)15/h7-8H,3-6H2,1-2H3
- InChI Key： FABCBYOTPUPRLE-UHFFFAOYSA-N
- SMILES： O=C1C(C(C(C)C)=CC2=C1CCCC2)=O
Computed Properties
- Exact Mass: 204.11508
- Monoisotopic Mass: 204.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 383
- 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: 2.4
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,2-Naphthalenedione, 5,6,7,8-tetrahydro-3-(1-methylethyl)- (9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
133130-11-7 (1,2-Naphthalenedione, 5,6,7,8-tetrahydro-3-(1-methylethyl)- (9CI)) Related Products
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