Cas no 2645413-50-7 (2-(methyl-d3)pyridin-3,5,6-d3-4-ol)
2645413-50-7 structure
Product Name:2-(methyl-d3)pyridin-3,5,6-d3-4-ol
CAS No:2645413-50-7
MF:C6H7NO
MW:115.162851572037
CID:6825861
PubChem ID:172402121
Update Time:2025-02-26
2-(methyl-d3)pyridin-3,5,6-d3-4-ol Chemical and Physical Properties
Names and Identifiers
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- CS-24016
- 2-(methyl-d3)pyridin-3,5,6-d3-4-ol
- 2645413-50-7
-
- Inchi： 1S/C6H7NO/c1-5-4-6(8)2-3-7-5/h2-4H,1H3,(H,7,8)/i1D3,2D,3D,4D
- InChI Key： KZDSIZCJICMHJW-RLTMCGQMSA-N
- SMILES： OC1C([2H])=C([2H])N=C(C([2H])([2H])[2H])C=1[2H]
Computed Properties
- Exact Mass: 115.090424322Da
- Monoisotopic Mass: 115.090424322Da
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 74.9
- 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: 0.7
- Topological Polar Surface Area: 33.1?2
2-(methyl-d3)pyridin-3,5,6-d3-4-ol Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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