Cas no 951160-50-2 (Hexanedioic acid, 3,3-dimethyl-2-oxo-)
951160-50-2 structure
Product Name:Hexanedioic acid, 3,3-dimethyl-2-oxo-
CAS No:951160-50-2
MF:C8H12O5
MW:188.177883148193
CID:2105803
Update Time:2023-08-03
Hexanedioic acid, 3,3-dimethyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
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- 3,3-dimethyl-2-oxoHexanedioic acid
- Hexanedioic acid, 3,3-dimethyl-2-oxo-
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- Inchi： 1S/C8H12O5/c1-8(2,4-3-5(9)10)6(11)7(12)13/h3-4H2,1-2H3,(H,9,10)(H,12,13)
- InChI Key： CFQBSPAUTMWSRT-UHFFFAOYSA-N
- SMILES： O=C(C(=O)O)C(C)(C)CCC(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 241
- Topological Polar Surface Area: 91.7
Hexanedioic acid, 3,3-dimethyl-2-oxo- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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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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