Cas no 2645418-50-2 (2,6-bis(methyl-d3)pyridin-3,5-d2-4-ol)
2645418-50-2 structure
Product Name:2,6-bis(methyl-d3)pyridin-3,5-d2-4-ol
CAS No:2645418-50-2
MF:C7H9NO
MW:131.201755285263
CID:6825940
PubChem ID:172402182
Update Time:2025-02-26
2,6-bis(methyl-d3)pyridin-3,5-d2-4-ol Chemical and Physical Properties
Names and Identifiers
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- 2645418-50-2
- CS-24099
- 2,6-bis(methyl-d3)pyridin-3,5-d2-4-ol
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- Inchi: 1S/C7H9NO/c1-5-3-7(9)4-6(2)8-5/h3-4H,1-2H3,(H,8,9)/i1D3,2D3,3D,4D
- InChI Key: PRAFLUMTYHBEHE-PIODKIDGSA-N
- SMILES: OC1C([2H])=C(C([2H])([2H])[2H])N=C(C([2H])([2H])[2H])C=1[2H]
Computed Properties
- Exact Mass: 131.118627878Da
- Monoisotopic Mass: 131.118627878Da
- Isotope Atom Count: 8
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 84.9
- 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: 1.3
- Topological Polar Surface Area: 33.1?2
2,6-bis(methyl-d3)pyridin-3,5-d2-4-ol Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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