Cas no 117883-37-1 ([3,3-Biisoxazole]-5-carboxaldehyde(6CI))
![[3,3-Biisoxazole]-5-carboxaldehyde(6CI) structure](https://ossimg.kuujia.com/scimg/118000/117883-37-1x500.png)
117883-37-1 structure
Product Name:[3,3-Biisoxazole]-5-carboxaldehyde(6CI)
CAS No:117883-37-1
MF:C7H4N2O3
MW:164.11826133728
CID:131646
PubChem ID:57357380
Update Time:2025-04-19
[3,3-Biisoxazole]-5-carboxaldehyde(6CI) Chemical and Physical Properties
Names and Identifiers
-
- [3,3-Biisoxazole]-5-carboxaldehyde(6CI)
- [3,3'-Biisoxazole]-5-carboxaldehyde
- 3-(1,2-oxazol-3-yl)-1,2-oxazole-5-carbaldehyde
- [3,3'-Bi-1,2-oxazole]-5-carbaldehyde
- 117883-37-1
- [3,3'-Biisoxazole]-5-carbaldehyde
- DTXSID70723658
-
- Inchi： 1S/C7H4N2O3/c10-4-5-3-7(9-12-5)6-1-2-11-8-6/h1-4H
- InChI Key： ATJXYFUTILCHLY-UHFFFAOYSA-N
- SMILES： O1C(C=O)=CC(C2C=CON=2)=N1
Computed Properties
- Exact Mass: 164.02222
- Monoisotopic Mass: 164.02219199g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 176
- 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: 0.3
- Topological Polar Surface Area: 69.1?2
Experimental Properties
- PSA: 69.13
[3,3-Biisoxazole]-5-carboxaldehyde(6CI) Related Literature
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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