Cas no 110082-20-7 (4-Diamantylacetic acid)
4-Diamantylacetic acid structure
Product Name:4-Diamantylacetic acid
CAS No:110082-20-7
MF:C16H22O2
MW:246.344685077667
CID:2886195
Update Time:2023-08-09
4-Diamantylacetic acid Chemical and Physical Properties
Names and Identifiers
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- 4-Diamantylacetic acid
-
- Inchi： 1S/C16H22O2/c17-15(18)7-16-4-12-9-1-8-2-10(12)14(6-16)11(3-8)13(9)5-16/h8-14H,1-7H2,(H,17,18)
- InChI Key： WYFOJGGGTFMVEM-UHFFFAOYSA-N
- SMILES： OC(CC12CC3C4CC5CC3C(C1)C(C5)C4C2)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 361
- XLogP3: 3.8
- Topological Polar Surface Area: 37.3
4-Diamantylacetic acid Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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