Cas no 1420968-65-5 (4-(Tert-butyl)oxazole-5-carbaldehyde)
1420968-65-5 structure
Product Name:4-(Tert-butyl)oxazole-5-carbaldehyde
CAS No:1420968-65-5
MF:C8H11NO2
MW:153.178442239761
CID:2182612
Update Time:2023-08-06
4-(Tert-butyl)oxazole-5-carbaldehyde Chemical and Physical Properties
Names and Identifiers
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- 4-(Tert-butyl)oxazole-5-carbaldehyde
- AM99717
-
- Inchi： 1S/C8H11NO2/c1-8(2,3)7-6(4-10)11-5-9-7/h4-5H,1-3H3
- InChI Key： GGSRRHZPZRTRBH-UHFFFAOYSA-N
- SMILES： O1C=NC(=C1C=O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 151
- Topological Polar Surface Area: 43.1
4-(Tert-butyl)oxazole-5-carbaldehyde Related Literature
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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